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Successful Rietveld refinements of seven compounds with the formulae La2Ti(1-x)GaxO(5-x/2), where x = 0.00, 0.20, 0.50, 0.70, 0.90, 0.95 and 1.00, were performed in order to describe the solid solubility between orthorhombic (Pnam) La2TiO5 and monoclinic (P21/c) La4Ga2O9. The relationship between the end-member structures, which are already known, is discussed; the space-group change is a consequence of ordering the oxygen vacancies that become more numerous as Ga is substituted for Ti. The structures of the solid solutions are also described. The lengths of cell edges obey Vegard's rule.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S010876810902833X/kd5032sup1.cif
Contains datablocks global, 1, 2, 3, 4, 5, 6, 7

rtv

Rietveld powder data file (CIF format) https://doi.org/10.1107/S010876810902833X/kd50321sup2.rtv
Contains datablock 1

rtv

Rietveld powder data file (CIF format) https://doi.org/10.1107/S010876810902833X/kd50322sup3.rtv
Contains datablock 2

rtv

Rietveld powder data file (CIF format) https://doi.org/10.1107/S010876810902833X/kd50323sup4.rtv
Contains datablock 3

rtv

Rietveld powder data file (CIF format) https://doi.org/10.1107/S010876810902833X/kd50324sup5.rtv
Contains datablock 4

rtv

Rietveld powder data file (CIF format) https://doi.org/10.1107/S010876810902833X/kd50325sup6.rtv
Contains datablock 5

rtv

Rietveld powder data file (CIF format) https://doi.org/10.1107/S010876810902833X/kd50326sup7.rtv
Contains datablock 6

rtv

Rietveld powder data file (CIF format) https://doi.org/10.1107/S010876810902833X/kd50327sup8.rtv
Contains datablock 7

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Portable Document Format (PDF) file https://doi.org/10.1107/S010876810902833X/kd5032sup9.pdf
Powder difference profiles and bond-valence sums

Computing details top

For all compounds, program(s) used to refine structure: Topas Academic v4.1 (Coelho, 2004).

Figures top
[Figure 1]
[Figure 2]
[Figure 3]
[Figure 4]
[Figure 5]
[Figure 6]
[Figure 7]
[Figure 8]
(1) top
Crystal data top
La2O5TiDx = 5.445 Mg m3
Mr = 405.69Cu Kα radiation, λ = 1.5418 Å
Orthorhombic, PnamT = 293 K
a = 11.00713 (11) ÅParticle morphology: irregular
b = 11.40018 (11) Åpale yellow
c = 3.94377 (4) Åirregular, ? × ? × ? mm
V = 494.88 (1) Å3Specimen preparation: Prepared at 1573 K
Z = 4
Data collection top
Bruker AXS D4 Endeavor
diffractometer
Data collection mode: reflection
Radiation source: sealed X-ray tubeScan method: step
Graphite, secondary monochromator2θmin = 10°, 2θmax = 140°, 2θstep = 0.020°
Specimen mounting: flat plate
Refinement top
Rp = 0.090Profile function: TOPAS Fundamental parameters approach
Rwp = 0.12033 parameters
Rexp = 0.068(Δ/σ)max = 0.001
χ2 = 3.112Background function: Chebychev polynomial, order 6
6501 data pointsPreferred orientation correction: none
Excluded region(s): none
Crystal data top
La2O5TiV = 494.88 (1) Å3
Mr = 405.69Z = 4
Orthorhombic, PnamCu Kα radiation, λ = 1.5418 Å
a = 11.00713 (11) ÅT = 293 K
b = 11.40018 (11) Åirregular, ? × ? × ? mm
c = 3.94377 (4) Å
Data collection top
Bruker AXS D4 Endeavor
diffractometer
Scan method: step
Specimen mounting: flat plate2θmin = 10°, 2θmax = 140°, 2θstep = 0.020°
Data collection mode: reflection
Refinement top
Rp = 0.090χ2 = 3.112
Rwp = 0.1206501 data points
Rexp = 0.06833 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzBiso*/Beq
La10.13587 (11)0.06177 (11)0.250.521 (15)
La20.40441 (11)0.21390 (11)0.750.521 (15)
Ti0.1937 (3)0.3738 (3)0.250.42 (6)
O10.0092 (11)0.0997 (11)0.750.46 (9)
O20.2750 (11)0.0309 (11)0.750.46 (9)
O30.2388 (10)0.3691 (12)0.750.46 (9)
O40.2770 (11)0.2270 (12)0.250.46 (9)
O50.0377 (11)0.3301 (11)0.250.46 (9)
Geometric parameters (Å, º) top
La1—O12.453 (7)La2—O4iv2.424 (7)
La1—O22.521 (8)La2—O5v2.509 (8)
La1—O42.442 (13)La2—O1vi2.418 (13)
La1—O1i2.453 (7)La2—O5vi2.509 (8)
La1—O2i2.521 (8)Ti—O32.034 (3)
La1—O3ii2.594 (13)Ti—O41.908 (14)
La1—O1iii2.437 (12)Ti—O51.788 (13)
La2—O22.526 (12)Ti—O3i2.034 (3)
La2—O32.540 (12)Ti—O2vii1.824 (13)
La2—O42.424 (7)
O1—La1—O275.0 (3)O5v—La2—O5vi103.6 (3)
O1—La1—O4103.0 (3)O1vi—La2—O5vi84.1 (3)
O1—La1—O1i107.0 (3)O3—Ti—O481.9 (4)
O1—La1—O2i176.7 (4)O3—Ti—O5103.1 (3)
O1—La1—O3ii116.8 (3)O3—Ti—O3i151.6 (5)
O1—La1—O1iii76.2 (3)O2vii—Ti—O388.8 (4)
O2—La1—O473.8 (3)O4—Ti—O5102.5 (6)
O1i—La1—O2176.7 (4)O3i—Ti—O481.9 (4)
O2—La1—O2i102.9 (3)O2vii—Ti—O4140.4 (6)
O2—La1—O3ii63.8 (3)O3i—Ti—O5103.1 (3)
O1iii—La1—O2107.0 (3)O2vii—Ti—O5117.1 (6)
O1i—La1—O4103.0 (3)O2vii—Ti—O3i88.8 (4)
O2i—La1—O473.8 (3)La1—O1—La1iv107.0 (5)
O3ii—La1—O4108.4 (4)La1—O1—La2viii115.2 (3)
O1iii—La1—O4178.6 (4)La1—O1—La1ix103.8 (4)
O1i—La1—O2i75.0 (3)La1iv—O1—La2viii115.2 (3)
O1i—La1—O3ii116.8 (3)La1iv—O1—La1ix103.8 (4)
O1i—La1—O1iii76.2 (3)La1ix—O1—La2viii110.6 (5)
O2i—La1—O3ii63.8 (3)La1—O2—La2103.1 (3)
O1iii—La1—O2i107.0 (3)La1—O2—La1iv102.9 (4)
O1iii—La1—O3ii73.1 (4)La1—O2—Tiii104.6 (4)
O2—La2—O399.8 (4)La1iv—O2—La2103.1 (3)
O2—La2—O474.0 (3)La2—O2—Tiii134.8 (6)
O2—La2—O4iv74.0 (3)La1iv—O2—Tiii104.6 (4)
O2—La2—O5v99.5 (3)La2—O3—Ti101.2 (4)
O1vi—La2—O2174.2 (4)La2—O3—Tiiv101.2 (4)
O2—La2—O5vi99.5 (3)La1vii—O3—La2102.0 (4)
O3—La2—O462.7 (3)Ti—O3—Tiiv151.6 (6)
O3—La2—O4iv62.7 (3)La1vii—O3—Ti96.2 (4)
O3—La2—O5v124.0 (3)La1vii—O3—Tiiv96.2 (4)
O1vi—La2—O374.4 (4)La1—O4—La2108.7 (4)
O3—La2—O5vi124.0 (3)La1—O4—Ti111.8 (5)
O4—La2—O4iv108.9 (3)La1—O4—La2i108.7 (4)
O4—La2—O5v73.2 (3)La2—O4—Ti109.4 (4)
O1vi—La2—O4102.8 (4)La2—O4—La2i108.9 (5)
O4—La2—O5vi171.9 (4)La2i—O4—Ti109.4 (4)
O4iv—La2—O5v171.9 (4)La2x—O5—Ti128.1 (2)
O1vi—La2—O4iv102.8 (4)La2viii—O5—Ti128.1 (2)
O4iv—La2—O5vi73.2 (3)La2x—O5—La2viii103.6 (4)
O1vi—La2—O5v84.1 (3)
O1—La1—O2—La2104.4 (4)O2—La2—O4—La14.6 (4)
O4—La1—O2—La24.3 (3)O2—La2—O4—Ti126.9 (5)
O1—La1—O4—La265.2 (5)O3—La2—O4—La1105.7 (5)
O1—La1—O4—Ti55.6 (3)O3—La2—O4—Ti16.6 (4)
O2—La1—O4—La24.7 (4)O4—Ti—O3—La217.1 (5)
O2—La1—O4—Ti125.5 (2)O5—Ti—O3—La2118.2 (5)
O3—La2—O2—La153.4 (3)O3—Ti—O4—La1101.7 (3)
O4—La2—O2—La14.4 (3)O3—Ti—O4—La218.7 (5)
O2—La2—O3—Ti81.1 (4)O5—Ti—O4—La10.00
O4—La2—O3—Ti14.9 (4)O5—Ti—O4—La2120.4 (4)
Symmetry codes: (i) x, y, z1; (ii) x+1/2, y1/2, z+1; (iii) x, y, z1/2; (iv) x, y, z+1; (v) x+1/2, y+1/2, z+1/2; (vi) x+1/2, y+1/2, z+3/2; (vii) x+1/2, y+1/2, z+1; (viii) x1/2, y+1/2, z+3/2; (ix) x, y, z+1/2; (x) x1/2, y+1/2, z+1/2.
(2) top
Crystal data top
Ga0.2La2O4.9Ti0.8Dx = 5.490 Mg m3
Mr = 408.47Cu Kα radiation, λ = 1.5418 Å
Orthorhombic, PnamT = 293 K
a = 11.04452 (11) ÅParticle morphology: irregular
b = 11.28420 (11) Åpale yellow
c = 3.96519 (4) Åirregular, ? × ? × ? mm
V = 494.18 (1) Å3Specimen preparation: Prepared at 1573 K
Z = 4
Data collection top
Bruker AXS D4 Endeavor
diffractometer
Data collection mode: reflection
Radiation source: sealed X-ray tubeScan method: step
Graphite, secondary monochromator2θmin = 10°, 2θmax = 140°, 2θstep = 0.020°
Specimen mounting: flat plate
Refinement top
Rp = 0.093Profile function: TOPAS Fundamental parameters approach
Rwp = 0.12233 parameters
Rexp = 0.071(Δ/σ)max = 0.001
χ2 = 2.955Background function: Chebychev polynomial, order 3
6501 data pointsPreferred orientation correction: none
Excluded region(s): none
Crystal data top
Ga0.2La2O4.9Ti0.8V = 494.18 (1) Å3
Mr = 408.47Z = 4
Orthorhombic, PnamCu Kα radiation, λ = 1.5418 Å
a = 11.04452 (11) ÅT = 293 K
b = 11.28420 (11) Åirregular, ? × ? × ? mm
c = 3.96519 (4) Å
Data collection top
Bruker AXS D4 Endeavor
diffractometer
Scan method: step
Specimen mounting: flat plate2θmin = 10°, 2θmax = 140°, 2θstep = 0.020°
Data collection mode: reflection
Refinement top
Rp = 0.093χ2 = 2.955
Rwp = 0.1226501 data points
Rexp = 0.07133 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzBiso*/BeqOcc. (<1)
La10.13342 (13)0.06567 (13)0.251.362 (18)
La20.40586 (13)0.21221 (13)0.751.362 (18)
Ti0.1932 (4)0.3730 (4)0.252.10 (9)0.8
Ga0.1932 (4)0.3730 (4)0.252.10 (9)0.2
O10.0128 (12)0.1018 (13)0.751.56 (12)
O20.2731 (12)0.0230 (12)0.751.56 (12)
O30.2369 (12)0.3761 (14)0.751.56 (12)0.9
O40.2828 (12)0.2303 (12)0.251.56 (12)
O50.0331 (11)0.3339 (12)0.251.56 (12)
Geometric parameters (Å, º) top
La1—O12.423 (8)La2—O4iv2.412 (8)
La1—O22.558 (8)La2—O5v2.485 (7)
La1—O42.485 (14)La2—O1vi2.408 (14)
La1—O1i2.423 (8)La2—O5vi2.485 (7)
La1—O2i2.558 (8)Ga—O41.890 (14)
La1—O3ii2.574 (15)Ga—O51.822 (13)
La1—O1iii2.486 (14)Ga—O2vii1.733 (14)
La2—O22.590 (14)Ti—O41.890 (14)
La2—O32.627 (15)Ti—O51.822 (13)
La2—O42.412 (8)Ti—O2vii1.733 (14)
O1—La1—O274.3 (3)O4iv—La2—O5vi71.4 (3)
O1—La1—O4103.8 (4)O1vi—La2—O5v84.6 (4)
O1—La1—O1i109.8 (4)O5v—La2—O5vi105.8 (3)
O1—La1—O2i175.9 (3)O1vi—La2—O5vi84.6 (4)
O1—La1—O3ii116.5 (3)O4—Ga—O5107.6 (6)
O1—La1—O1iii76.8 (4)O2vii—Ga—O4136.0 (6)
O2—La1—O475.0 (3)O2vii—Ga—O5116.4 (6)
O1i—La1—O2175.9 (3)O4—Ti—O5107.6 (6)
O2—La1—O2i101.6 (3)O2vii—Ti—O4136.0 (6)
O2—La1—O3ii60.5 (3)O2vii—Ti—O5116.4 (6)
O1iii—La1—O2104.4 (4)La1—O1—La1iv109.8 (5)
O1i—La1—O4103.8 (4)La1—O1—La2viii114.6 (4)
O2i—La1—O475.0 (3)La1—O1—La1ix103.3 (4)
O3ii—La1—O4104.6 (4)La1iv—O1—La2viii114.6 (4)
O1iii—La1—O4178.9 (4)La1iv—O1—La1ix103.3 (4)
O1i—La1—O2i74.3 (3)La1ix—O1—La2viii110.1 (5)
O1i—La1—O3ii116.5 (3)La1—O2—La2100.7 (4)
O1i—La1—O1iii76.8 (4)La1—O2—La1iv101.6 (5)
O2i—La1—O3ii60.5 (3)La1—O2—Tiii108.3 (4)
O1iii—La1—O2i104.4 (4)La1iv—O2—La2100.7 (4)
O1iii—La1—O3ii74.3 (5)La2—O2—Tiii133.1 (7)
O2—La2—O3100.3 (4)La1iv—O2—Tiii108.3 (4)
O2—La2—O475.6 (4)La1vii—O3—La2100.9 (5)
O2—La2—O4iv75.6 (4)La1—O4—La2108.1 (4)
O2—La2—O5v98.5 (4)La1—O4—Ti106.8 (6)
O1vi—La2—O2174.9 (4)La1—O4—Ga106.8 (6)
O2—La2—O5vi98.5 (4)La1—O4—La2i108.1 (4)
O3—La2—O462.6 (3)La2—O4—Ti111.5 (4)
O3—La2—O4iv62.6 (3)La2—O4—Ga111.5 (4)
O3—La2—O5v123.3 (3)La2—O4—La2i110.5 (5)
O1vi—La2—O374.6 (5)La2i—O4—Ti111.5 (4)
O3—La2—O5vi123.3 (3)La2i—O4—Ga111.5 (4)
O4—La2—O4iv110.5 (4)La2x—O5—Ti126.8 (2)
O4—La2—O5v71.4 (3)La2viii—O5—Ti126.8 (2)
O1vi—La2—O4101.7 (4)La2x—O5—Ga126.8 (2)
O4—La2—O5vi172.7 (4)La2viii—O5—Ga126.8 (2)
O4iv—La2—O5v172.7 (4)La2x—O5—La2viii105.8 (5)
O1vi—La2—O4iv101.7 (4)
O1—La1—O2—La2103.6 (5)O4—La2—O2—La16.0 (4)
O4—La1—O2—La25.8 (3)O2—La2—O4—La16.4 (4)
O1—La1—O4—La262.7 (5)O2—La2—O4—Ti123.5 (6)
O1—La1—O4—Ti57.4 (3)O3—La2—O4—La1103.5 (5)
O2—La1—O4—La26.5 (4)O3—La2—O4—Ti13.6 (5)
O2—La1—O4—Ti126.6 (3)O5—Ti—O4—La10.00
O3—La2—O2—La152.1 (3)O5—Ti—O4—La2117.9 (4)
Symmetry codes: (i) x, y, z1; (ii) x+1/2, y1/2, z+1; (iii) x, y, z1/2; (iv) x, y, z+1; (v) x+1/2, y+1/2, z+1/2; (vi) x+1/2, y+1/2, z+3/2; (vii) x+1/2, y+1/2, z+1; (viii) x1/2, y+1/2, z+3/2; (ix) x, y, z+1/2; (x) x1/2, y+1/2, z+1/2.
(3) top
Crystal data top
Ga0.5La2O4.75Ti0.5Dx = 5.564 Mg m3
Mr = 412.62Cu Kα radiation, λ = 1.5418 Å
Orthorhombic, PnamT = 293 K
a = 11.09937 (19) ÅParticle morphology: irregular
b = 11.14255 (17) Åpale yellow
c = 3.98321 (5) Åirregular, ? × ? × ? mm
V = 492.63 (1) Å3Specimen preparation: Prepared at 1573 K
Z = 4
Data collection top
Bruker AXS D4 Endeavor
diffractometer
Data collection mode: reflection
Radiation source: sealed X-ray tubeScan method: step
Graphite, secondary monochromator2θmin = 10°, 2θmax = 140°, 2θstep = 0.020°
Specimen mounting: flat plate
Refinement top
Rp = 0.088Profile function: TOPAS Fundamental parameters approach
Rwp = 0.11533 parameters
Rexp = 0.070(Δ/σ)max = 0.001
χ2 = 2.713Background function: Chebychev polynomial, order 6
6501 data pointsPreferred orientation correction: none
Excluded region(s): none
Crystal data top
Ga0.5La2O4.75Ti0.5V = 492.63 (1) Å3
Mr = 412.62Z = 4
Orthorhombic, PnamCu Kα radiation, λ = 1.5418 Å
a = 11.09937 (19) ÅT = 293 K
b = 11.14255 (17) Åirregular, ? × ? × ? mm
c = 3.98321 (5) Å
Data collection top
Bruker AXS D4 Endeavor
diffractometer
Scan method: step
Specimen mounting: flat plate2θmin = 10°, 2θmax = 140°, 2θstep = 0.020°
Data collection mode: reflection
Refinement top
Rp = 0.088χ2 = 2.713
Rwp = 0.1156501 data points
Rexp = 0.07033 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzBiso*/BeqOcc. (<1)
La10.12879 (15)0.07192 (14)0.250.832 (15)
La20.40711 (14)0.20894 (15)0.750.832 (15)
Ti0.1929 (4)0.3739 (4)0.252.11 (9)0.5
Ga0.1929 (4)0.3739 (4)0.252.11 (9)0.5
O10.0028 (14)0.0998 (15)0.751.40 (13)
O20.2714 (14)0.0228 (15)0.751.40 (13)
O30.2316 (17)0.376 (2)0.751.40 (13)0.75
O40.2871 (15)0.2393 (14)0.251.40 (13)
O50.0328 (14)0.3235 (15)0.251.40 (13)
Geometric parameters (Å, º) top
La1—O12.453 (9)La2—O4iv2.420 (9)
La1—O22.602 (10)La2—O5v2.458 (9)
La1—O42.562 (16)La2—O1vi2.381 (17)
La1—O1i2.453 (9)La2—O5vi2.458 (9)
La1—O2i2.602 (10)Ga—O41.828 (17)
La1—O3ii2.68 (2)Ga—O51.864 (16)
La1—O1iii2.407 (16)Ga—O2vii1.706 (17)
La2—O22.563 (16)Ti—O41.828 (17)
La2—O32.69 (2)Ti—O51.864 (16)
La2—O42.420 (9)Ti—O2vii1.706 (17)
O1—La1—O275.6 (4)O4iv—La2—O5vi70.5 (4)
O1—La1—O4107.4 (4)O1vi—La2—O5v83.0 (4)
O1—La1—O1i108.6 (4)O5v—La2—O5vi108.2 (4)
O1—La1—O2i174.1 (5)O1vi—La2—O5vi83.0 (4)
O1—La1—O3ii115.7 (4)O4—Ga—O5107.3 (8)
O1—La1—O1iii75.8 (4)O2vii—Ga—O4131.7 (8)
O2—La1—O474.7 (4)O2vii—Ga—O5121.0 (8)
O1i—La1—O2174.1 (5)O4—Ti—O5107.3 (8)
O2—La1—O2i99.9 (4)O2vii—Ti—O4131.7 (8)
O2—La1—O3ii58.4 (4)O2vii—Ti—O5121.0 (8)
O1iii—La1—O2101.7 (4)La1—O1—La1iv108.6 (6)
O1i—La1—O4107.4 (4)La1—O1—La2viii111.6 (5)
O2i—La1—O474.7 (4)La1—O1—La1ix104.2 (5)
O3ii—La1—O4101.3 (6)La1iv—O1—La2viii111.6 (5)
O1iii—La1—O4174.1 (5)La1iv—O1—La1ix104.2 (5)
O1i—La1—O2i75.6 (4)La1ix—O1—La2viii116.2 (6)
O1i—La1—O3ii115.7 (4)La1—O2—La2100.8 (5)
O1i—La1—O1iii75.8 (4)La1—O2—La1iv99.9 (5)
O2i—La1—O3ii58.4 (4)La1—O2—Gaii110.2 (5)
O1iii—La1—O2i101.7 (4)La1iv—O2—La2100.8 (5)
O1iii—La1—O3ii72.7 (6)La2—O2—Gaii130.6 (8)
O2—La2—O397.7 (6)La1iv—O2—Gaii110.2 (5)
O2—La2—O477.9 (4)La1vii—O3—La298.3 (6)
O2—La2—O4iv77.9 (4)La1—O4—La2106.0 (4)
O2—La2—O5v102.4 (4)La1—O4—Ga101.8 (7)
O1vi—La2—O2170.5 (5)La1—O4—Ti101.8 (7)
O2—La2—O5vi102.4 (4)La1—O4—La2i106.0 (4)
O3—La2—O460.4 (4)La2—O4—Ga115.4 (4)
O3—La2—O4iv60.4 (4)La2—O4—Ti115.4 (4)
O3—La2—O5v120.8 (4)La2—O4—La2i110.8 (7)
O1vi—La2—O372.8 (6)La2i—O4—Ga115.4 (4)
O3—La2—O5vi120.8 (4)La2i—O4—Ti115.4 (4)
O4—La2—O4iv110.8 (5)La2x—O5—Ga125.8 (3)
O4—La2—O5v70.5 (4)La2viii—O5—Ga125.8 (3)
O1vi—La2—O496.9 (4)La2x—O5—Ti125.8 (3)
O4—La2—O5vi178.7 (4)La2viii—O5—Ti125.8 (3)
O4iv—La2—O5v178.7 (4)La2x—O5—La2viii108.2 (6)
O1vi—La2—O4iv96.9 (4)
O1—La1—O2—La2107.0 (6)O2—La2—O4—La16.4 (5)
O4—La1—O2—La25.9 (4)O2—La2—O4—Ga118.3 (8)
O1—La1—O4—La262.8 (6)O2—La2—O4—Ti118.3 (8)
O1—La1—O4—Ga58.3 (4)O3—La2—O4—La199.9 (7)
O1—La1—O4—Ti58.3 (4)O3—La2—O4—Ga12.0 (7)
O2—La1—O4—La26.4 (5)O3—La2—O4—Ti12.0 (7)
O2—La1—O4—Ga127.5 (3)O5—Ga—O4—La10.00
O2—La1—O4—Ti127.5 (3)O5—Ga—O4—La2114.3 (6)
O3—La2—O2—La151.2 (3)O5—Ti—O4—La10.00
O4—La2—O2—La16.2 (4)O5—Ti—O4—La2114.3 (6)
Symmetry codes: (i) x, y, z1; (ii) x+1/2, y1/2, z+1; (iii) x, y, z1/2; (iv) x, y, z+1; (v) x+1/2, y+1/2, z+1/2; (vi) x+1/2, y+1/2, z+3/2; (vii) x+1/2, y+1/2, z+1; (viii) x1/2, y+1/2, z+3/2; (ix) x, y, z+1/2; (x) x1/2, y+1/2, z+1/2.
(4) top
Crystal data top
Ga0.7La2O4.65Ti0.3Dx = 5.617 Mg m3
Mr = 415.39Cu Kα radiation, λ = 1.5418 Å
Orthorhombic, PnamT = 293 K
a = 11.13674 (16) ÅParticle morphology: irregular
b = 11.06383 (15) Åpale yellow
c = 3.98631 (5) Åirregular, ? × ? × ? mm
V = 491.17 (1) Å3Specimen preparation: Prepared at 1573 K
Z = 4
Data collection top
Bruker AXS D4 Endeavor
diffractometer
Data collection mode: reflection
Radiation source: sealed X-ray tubeScan method: step
Graphite, secondary monochromator2θmin = 10°, 2θmax = 140°, 2θstep = 0.020°
Specimen mounting: flat plate
Refinement top
Rp = 0.082Profile function: TOPAS Fundamental parameters approach
Rwp = 0.10533 parameters
Rexp = 0.056(Δ/σ)max = 0.001
χ2 = 3.467Background function: Chebychev polynomial, order 6
6501 data pointsPreferred orientation correction: none
Excluded region(s): none
Crystal data top
Ga0.7La2O4.65Ti0.3V = 491.17 (1) Å3
Mr = 415.39Z = 4
Orthorhombic, PnamCu Kα radiation, λ = 1.5418 Å
a = 11.13674 (16) ÅT = 293 K
b = 11.06383 (15) Åirregular, ? × ? × ? mm
c = 3.98631 (5) Å
Data collection top
Bruker AXS D4 Endeavor
diffractometer
Scan method: step
Specimen mounting: flat plate2θmin = 10°, 2θmax = 140°, 2θstep = 0.020°
Data collection mode: reflection
Refinement top
Rp = 0.082χ2 = 3.467
Rwp = 0.1056501 data points
Rexp = 0.05633 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzBiso*/BeqOcc. (<1)
La10.12653 (14)0.07551 (12)0.251.547 (18)
La20.40823 (14)0.20500 (15)0.751.547 (18)
Ti0.1895 (3)0.3746 (4)0.253.00 (8)0.3
Ga0.1895 (3)0.3746 (4)0.253.00 (8)0.7
O10.0034 (13)0.1026 (15)0.751.93 (13)
O20.2598 (14)0.0303 (14)0.751.93 (13)
O30.2375 (19)0.382 (2)0.751.93 (13)0.65
O40.2859 (14)0.2383 (13)0.251.93 (13)
O50.0388 (13)0.3231 (14)0.251.93 (13)
Geometric parameters (Å, º) top
La1—O12.438 (8)La2—O4iv2.442 (9)
La1—O22.535 (10)La2—O5v2.487 (9)
La1—O42.529 (15)La2—O1vi2.378 (16)
La1—O52.908 (15)La2—O5vi2.487 (9)
La1—O1i2.438 (8)Ga—O41.851 (15)
La1—O2i2.535 (10)Ga—O51.772 (15)
La1—O3ii2.62 (2)Ga—O2vii1.813 (16)
La1—O1iii2.445 (16)Ti—O41.851 (15)
La2—O22.543 (16)Ti—O51.772 (15)
La2—O32.73 (2)Ti—O2vii1.813 (16)
La2—O42.442 (9)
O1—La1—O273.2 (4)O4iv—La2—O5v177.7 (5)
O1—La1—O4107.9 (4)O1vi—La2—O4iv96.5 (4)
O1—La1—O572.3 (4)O4iv—La2—O5vi72.0 (4)
O1—La1—O1i109.7 (4)O1vi—La2—O5v81.5 (4)
O1—La1—O2i175.2 (5)O5v—La2—O5vi106.6 (4)
O1—La1—O3ii115.2 (4)O1vi—La2—O5vi81.5 (4)
O1—La1—O1iii76.5 (4)O4—Ga—O5106.7 (7)
O2—La1—O474.3 (4)O2vii—Ga—O4126.4 (7)
O2—La1—O5112.5 (4)O2vii—Ga—O5126.9 (7)
O1i—La1—O2175.2 (5)O4—Ti—O5106.7 (7)
O2—La1—O2i103.7 (4)O2vii—Ti—O4126.4 (7)
O2—La1—O3ii60.1 (4)O2vii—Ti—O5126.9 (7)
O1iii—La1—O2100.8 (4)La1iv—O1—La2viii111.2 (4)
O4—La1—O564.2 (4)La1iv—O1—La1ix103.5 (5)
O1i—La1—O4107.9 (4)La1ix—O1—La2viii117.2 (6)
O2i—La1—O474.3 (4)La1—O1—La1iv109.7 (6)
O3ii—La1—O4100.2 (6)La1—O1—La2viii111.2 (4)
O1iii—La1—O4171.7 (5)La1—O1—La1ix103.5 (5)
O1i—La1—O572.3 (4)La1—O2—La2103.3 (4)
O2i—La1—O5112.5 (4)La1—O2—La1iv103.7 (6)
O3ii—La1—O5164.4 (6)La1—O2—Gaii111.7 (5)
O1iii—La1—O5124.1 (5)La1iv—O2—Gaii111.7 (5)
O1i—La1—O2i73.2 (4)La1iv—O2—La2103.3 (4)
O1i—La1—O3ii115.2 (4)La2—O2—Gaii121.3 (8)
O1i—La1—O1iii76.5 (4)La1vii—O3—La2100.6 (7)
O2i—La1—O3ii60.1 (4)La1—O4—La2106.5 (4)
O1iii—La1—O2i100.8 (4)La1—O4—Ga100.0 (7)
O1iii—La1—O3ii71.6 (6)La1—O4—Ti100.0 (7)
O2—La2—O395.3 (6)La2—O4—La2i109.4 (6)
O2—La2—O475.7 (4)La2i—O4—Ga116.5 (4)
O2—La2—O4iv75.7 (4)La2i—O4—Ti116.5 (4)
O2—La2—O5v106.6 (4)La2—O4—Ga116.5 (4)
O1vi—La2—O2165.9 (5)La2—O4—Ti116.5 (4)
O2—La2—O5vi106.6 (4)La1—O4—La2i106.5 (4)
O3—La2—O460.2 (3)La1—O5—Ga89.1 (6)
O3—La2—O4iv60.2 (3)La1—O5—Ti89.1 (6)
O3—La2—O5v119.8 (4)La2viii—O5—Ga126.4 (3)
O1vi—La2—O370.6 (6)La2x—O5—Ti126.4 (3)
O3—La2—O5vi119.8 (4)La2viii—O5—Ti126.4 (3)
O4—La2—O4iv109.4 (4)La2x—O5—La2viii106.6 (5)
O4—La2—O5v72.0 (4)La1—O5—La2x94.5 (4)
O1vi—La2—O496.5 (4)La1—O5—La2viii94.5 (4)
O4—La2—O5vi177.7 (5)La2x—O5—Ga126.4 (3)
O1—La1—O2—La2111.3 (6)O4—La1—O5—Ga0.00
O4—La1—O2—La23.4 (4)O3—La2—O2—La153.9 (4)
O5—La1—O2—La249.4 (5)O4—La2—O2—La13.5 (4)
O1—La1—O4—La262.4 (6)O2—La2—O4—La13.6 (4)
O1—La1—O4—Ga59.2 (3)O2—La2—O4—Ga114.0 (7)
O2—La1—O4—La23.6 (4)O3—La2—O4—La1101.3 (7)
O2—La1—O4—Ga125.2 (3)O3—La2—O4—Ga9.2 (7)
O5—La1—O4—La2121.7 (4)O5—Ga—O4—La10.00
O5—La1—O4—Ga0.00O5—Ga—O4—La2114.2 (6)
O1—La1—O5—Ga120.9 (3)O4—Ga—O5—La10.00
O2—La1—O5—Ga58.3 (3)
Symmetry codes: (i) x, y, z1; (ii) x+1/2, y1/2, z+1; (iii) x, y, z1/2; (iv) x, y, z+1; (v) x+1/2, y+1/2, z+1/2; (vi) x+1/2, y+1/2, z+3/2; (vii) x+1/2, y+1/2, z+1; (viii) x1/2, y+1/2, z+3/2; (ix) x, y, z+1/2; (x) x1/2, y+1/2, z+1/2.
(5) top
Crystal data top
Ga0.9La2O4.55Ti0.1Dx = 5.665 Mg m3
Mr = 418.16Cu Kα radiation, λ = 1.5418 Å
Orthorhombic, PnamT = 293 K
a = 11.17394 (16) ÅParticle morphology: irregular
b = 10.99713 (14) Åpale yellow
c = 3.98992 (5) Åirregular, ? × ? × ? mm
V = 490.29 (1) Å3Specimen preparation: Prepared at 1573 K
Z = 4
Data collection top
Bruker AXS D4 Endeavor
diffractometer
Data collection mode: reflection
Radiation source: sealed X-ray tubeScan method: step
Graphite, secondary monochromator2θmin = 10°, 2θmax = 140°, 2θstep = 0.020°
Specimen mounting: flat plate
Refinement top
Rp = 0.084Profile function: TOPAS Fundamental parameters approach
Rwp = 0.10933 parameters
Rexp = 0.057(Δ/σ)max = 0.001
χ2 = 3.709Background function: Chebychev polynomial, order 6
6501 data pointsPreferred orientation correction: none
Excluded region(s): none
Crystal data top
Ga0.9La2O4.55Ti0.1V = 490.29 (1) Å3
Mr = 418.16Z = 4
Orthorhombic, PnamCu Kα radiation, λ = 1.5418 Å
a = 11.17394 (16) ÅT = 293 K
b = 10.99713 (14) Åirregular, ? × ? × ? mm
c = 3.98992 (5) Å
Data collection top
Bruker AXS D4 Endeavor
diffractometer
Scan method: step
Specimen mounting: flat plate2θmin = 10°, 2θmax = 140°, 2θstep = 0.020°
Data collection mode: reflection
Refinement top
Rp = 0.084χ2 = 3.709
Rwp = 0.1096501 data points
Rexp = 0.05733 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzBiso*/BeqOcc. (<1)
La10.12417 (14)0.07811 (11)0.251.468 (19)
La20.40848 (14)0.20266 (13)0.751.468 (19)
Ti0.1890 (3)0.3739 (4)0.253.02 (8)0.1
Ga0.1890 (3)0.3739 (4)0.253.02 (8)0.9
O10.0026 (12)0.1037 (14)0.751.71 (13)
O20.2631 (13)0.0298 (13)0.751.71 (13)
O30.235 (2)0.387 (3)0.751.71 (13)0.55
O40.2866 (14)0.2393 (13)0.251.71 (13)
O50.0350 (13)0.3251 (13)0.251.71 (13)
Geometric parameters (Å, º) top
La1—O12.430 (8)La2—O42.449 (9)
La1—O22.583 (9)La2—O4iv2.449 (9)
La1—O42.537 (15)La2—O5v2.464 (9)
La1—O52.893 (14)La2—O1vi2.375 (15)
La1—Ti3.333 (4)La2—O5vi2.464 (9)
La1—O1i2.430 (8)Ga—O41.839 (15)
La1—O2i2.583 (9)Ga—O51.803 (15)
La1—O3ii2.63 (3)Ga—O2vii1.796 (15)
La1—O1iii2.450 (15)Ti—O41.839 (15)
La2—O22.501 (14)Ti—O51.803 (15)
La2—O32.81 (3)Ti—O2vii1.796 (15)
O1—La1—O274.1 (4)O1vi—La2—O495.7 (4)
O1—La1—O4108.6 (4)O4—La2—O5vi177.5 (5)
O1—La1—O572.5 (4)O4iv—La2—O5v177.5 (5)
Ti—La1—O190.5 (4)O1vi—La2—O4iv95.7 (4)
O1—La1—O1i110.4 (4)O4iv—La2—O5vi71.3 (4)
O1—La1—O2i173.7 (4)O1vi—La2—O5v81.8 (4)
O1—La1—O3ii115.3 (4)O5v—La2—O5vi108.1 (4)
O1—La1—O1iii76.8 (4)O1vi—La2—O5vi81.8 (4)
O2—La1—O473.4 (4)O4—Ga—O5109.1 (7)
O2—La1—O5113.6 (3)O2vii—Ga—O4126.3 (7)
Ti—La1—O294.0 (3)O2vii—Ga—O5124.7 (7)
O1i—La1—O2173.7 (4)La1—Ti—O448.9 (5)
O2—La1—O2i101.1 (4)La1—Ti—O560.1 (5)
O2—La1—O3ii58.3 (4)La1—Ti—O2vii175.2 (5)
O1iii—La1—O2100.4 (4)O4—Ti—O5109.1 (7)
O4—La1—O565.8 (4)O2vii—Ti—O4126.3 (7)
Ti—La1—O433.1 (3)O2vii—Ti—O5124.7 (7)
O1i—La1—O4108.6 (4)La1viii—O1—La2ix118.4 (5)
O2i—La1—O473.4 (4)La1—O1—La2ix110.6 (4)
O3ii—La1—O497.5 (7)La1—O1—La1viii103.2 (4)
O1iii—La1—O4169.6 (5)La1—O1—La1iv110.4 (5)
Ti—La1—O532.7 (3)La1iv—O1—La1viii103.2 (4)
O1i—La1—O572.5 (4)La1iv—O1—La2ix110.6 (4)
O2i—La1—O5113.6 (3)La1—O2—Gaii112.1 (4)
O3ii—La1—O5163.3 (7)La1—O2—La1iv101.1 (5)
O1iii—La1—O5124.5 (4)La1—O2—La2103.5 (4)
Ti—La1—O1i90.5 (4)La1iv—O2—Gaii112.1 (4)
Ti—La1—O2i94.0 (3)La1iv—O2—La2103.5 (4)
Ti—La1—O1iii157.2 (3)La2—O2—Gaii122.2 (7)
O1i—La1—O2i74.1 (4)La1vii—O3—La299.5 (7)
O1i—La1—O3ii115.3 (4)La1—O4—Ti97.9 (6)
O1i—La1—O1iii76.8 (4)La1—O4—La2106.4 (4)
O2i—La1—O3ii58.3 (4)La1—O4—Ga97.9 (6)
O1iii—La1—O2i100.4 (4)La2i—O4—Ti117.5 (4)
O1iii—La1—O3ii72.1 (7)La2—O4—Ti117.5 (4)
O2—La2—O395.8 (7)La1—O4—La2i106.4 (4)
O2—La2—O476.3 (4)La2—O4—Ga117.5 (4)
O2—La2—O4iv76.3 (4)La2—O4—La2i109.1 (6)
O2—La2—O5v106.2 (4)La2i—O4—Ga117.5 (4)
O1vi—La2—O2165.8 (5)La1—O5—Ti87.2 (5)
O2—La2—O5vi106.2 (4)La1—O5—Ga87.2 (5)
O3—La2—O459.8 (4)La2x—O5—La2ix108.1 (5)
O3—La2—O4iv59.8 (4)La1—O5—La2x94.7 (4)
O3—La2—O5v119.1 (4)La1—O5—La2ix94.7 (4)
O1vi—La2—O370.0 (7)La2x—O5—Ga125.8 (3)
O3—La2—O5vi119.1 (4)La2ix—O5—Ga125.8 (3)
O4—La2—O4iv109.1 (4)La2x—O5—Ti125.8 (3)
O4—La2—O5v71.3 (4)La2ix—O5—Ti125.8 (3)
O1—La1—O2—La2111.3 (5)O4—La1—O5—Ga0.00
O4—La1—O2—La24.3 (4)O3—La2—O2—La152.6 (3)
O5—La1—O2—La249.1 (5)O4—La2—O2—La14.4 (4)
O1—La1—O4—La261.8 (6)O2—La2—O4—La14.5 (4)
O1—La1—O4—Ga60.0 (3)O2—La2—O4—Ga113.0 (8)
O2—La1—O4—La24.4 (4)O3—La2—O4—La1100.6 (8)
O2—La1—O4—Ga126.3 (3)O3—La2—O4—Ga7.8 (8)
O5—La1—O4—La2121.9 (4)O5—Ga—O4—La10.00
O5—La1—O4—Ga0.00O5—Ga—O4—La2113.3 (6)
O1—La1—O5—Ga120.6 (3)O4—Ga—O5—La10.00
O2—La1—O5—Ga57.4 (3)
Symmetry codes: (i) x, y, z1; (ii) x+1/2, y1/2, z+1; (iii) x, y, z1/2; (iv) x, y, z+1; (v) x+1/2, y+1/2, z+1/2; (vi) x+1/2, y+1/2, z+3/2; (vii) x+1/2, y+1/2, z+1; (viii) x, y, z+1/2; (ix) x1/2, y+1/2, z+3/2; (x) x1/2, y+1/2, z+1/2.
(6) top
Crystal data top
Ga1.90La4O9.05Ti0.10Z = 4
Mr = 837.68Dx = 5.674 Mg m3
Monoclinic, P21/cCu Kα radiation, λ = 1.5418 Å
a = 7.98014 (9) ÅT = 293 K
b = 11.19613 (14) ÅParticle morphology: irregular
c = 11.64676 (14) Åpale yellow
β = 109.5310 (9)°irregular, ? × ? × ? mm
V = 980.72 (2) Å3Specimen preparation: Prepared at 1573 K
Data collection top
Bruker AXS D4 Endeavor
diffractometer
Data collection mode: reflection
Radiation source: sealed X-ray tubeScan method: step
Graphite, secondary monochromator2θmin = 10°, 2θmax = 140°, 2θstep = 0.020°
Specimen mounting: flat plate
Refinement top
Rp = 0.067Profile function: TOPAS Fundamental parameters approach
Rwp = 0.09063 parameters
Rexp = 0.055(Δ/σ)max = 0.001
χ2 = 2.654Background function: Chebychev polynomial, order 6
6501 data pointsPreferred orientation correction: none
Excluded region(s): none
Crystal data top
Ga1.90La4O9.05Ti0.10β = 109.5310 (9)°
Mr = 837.68V = 980.72 (2) Å3
Monoclinic, P21/cZ = 4
a = 7.98014 (9) ÅCu Kα radiation, λ = 1.5418 Å
b = 11.19613 (14) ÅT = 293 K
c = 11.64676 (14) Åirregular, ? × ? × ? mm
Data collection top
Bruker AXS D4 Endeavor
diffractometer
Scan method: step
Specimen mounting: flat plate2θmin = 10°, 2θmax = 140°, 2θstep = 0.020°
Data collection mode: reflection
Refinement top
Rp = 0.067χ2 = 2.654
Rwp = 0.0906501 data points
Rexp = 0.05563 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzBiso*/BeqOcc. (<1)
La2a0.5232 (4)0.5982 (3)0.7879 (2)0.578 (16)
La2b0.0249 (5)0.5853 (2)0.8080 (2)0.578 (16)
La1a0.3341 (4)0.6243 (3)0.4260 (3)0.578 (16)
La1b0.8366 (5)0.6230 (3)0.4170 (3)0.578 (16)
Ga1a0.2154 (8)0.6912 (6)0.1299 (5)1.10 (7)0.95
Ti1a0.2154 (8)0.6912 (6)0.1299 (5)1.10 (7)0.05
Ga1b0.6555 (8)0.6872 (6)0.1195 (6)1.10 (7)0.95
Ti1b0.6555 (8)0.6872 (6)0.1195 (6)1.10 (7)0.05
O4a0.791 (4)0.723 (3)0.758 (3)0.69 (14)
O4b0.242 (4)0.712 (3)0.760 (3)0.69 (14)
O5a0.228 (4)0.537 (3)0.192 (2)0.69 (14)
O2a0.078 (4)0.726 (3)0.976 (2)0.69 (14)
O3a0.406 (4)0.741 (2)0.107 (2)0.69 (14)
O2b0.627 (4)0.740 (3)0.962 (2)0.69 (14)
O5b0.700 (4)0.537 (3)0.159 (2)0.69 (14)
O1a0.073 (5)0.509 (3)0.398 (3)0.69 (14)
O1b0.568 (5)0.518 (2)0.388 (3)0.69 (14)
O3v0.93320.74760.11710.69 (14)0.05
Geometric parameters (Å, º) top
La1A—O1B2.38 (4)La2B—O4Aviii2.34 (3)
La1A—O5A2.75 (2)La2B—O1Aix2.42 (3)
La1A—O1Ai2.49 (4)La2B—O5Ax2.44 (3)
La1A—O1Bii2.59 (3)La2B—O5Bii2.51 (3)
La1A—O2Aiii2.85 (3)La2B—O3Vxi2.8091
La1A—O2Biii2.70 (3)Ga1A—O3A1.72 (3)
La1A—O4Biii2.59 (3)Ga1A—O5A1.86 (3)
La1A—O3Aiv2.50 (2)Ga1A—O2Axii1.80 (2)
La1B—O1B2.37 (4)Ga1A—O4Biii1.82 (3)
La1B—O1Av2.46 (4)Ga1B—O3A2.04 (3)
La1B—O1Avi2.40 (3)Ga1B—O5B1.75 (3)
La1B—O2Biii2.45 (3)Ga1B—O2Bxii1.87 (2)
La1B—O4Aiii2.47 (3)Ga1B—O4Aiii1.90 (3)
La1B—O3Viv2.6312Ti1A—O3A1.72 (3)
La1B—O2Avii2.48 (3)Ti1A—O5A1.86 (3)
La2A—O2B2.49 (3)Ti1A—O3Vviii2.2952
La2A—O4A2.67 (3)Ti1A—O2Axii1.80 (2)
La2A—O4B2.51 (3)Ti1A—O4Biii1.82 (3)
La2A—O1Bii2.33 (3)Ti1B—O3A2.04 (3)
La2A—O5Aii2.45 (3)Ti1B—O5B1.75 (3)
La2A—O5Bii2.57 (3)Ti1B—O3V2.3261
La2A—O3Aiv2.69 (2)Ti1B—O2Bxii1.87 (2)
La2B—O2A2.44 (3)Ti1B—O4Aiii1.90 (3)
La2B—O4B2.44 (3)
O1B—La1A—O5A68.8 (11)O2Axii—Ga1A—O5A121.5 (13)
O1Ai—La1A—O1B110.5 (10)O4Biii—Ga1A—O5A104.7 (12)
O1B—La1A—O1Bii79.1 (11)O2Axii—Ga1A—O4Biii124.2 (14)
O1B—La1A—O2Aiii173.8 (10)O3A—Ga1B—O5B114.3 (13)
O1B—La1A—O2Biii67.5 (10)O2Bxii—Ga1B—O3A92.4 (12)
O1B—La1A—O4Biii105.1 (10)O3A—Ga1B—O4Aiii99.7 (12)
O1B—La1A—O3Aiv119.1 (11)O2Bxii—Ga1B—O5B120.7 (13)
O1Ai—La1A—O5A72.0 (10)O4Aiii—Ga1B—O5B106.1 (13)
O1Bii—La1A—O5A121.2 (9)O2Bxii—Ga1B—O4Aiii120.9 (14)
O2Aiii—La1A—O5A114.1 (8)O2Axii—Ti1A—O3A92.9 (13)
O2Biii—La1A—O5A108.5 (9)O3A—Ti1A—O4Biii94.2 (13)
O4Biii—La1A—O5A66.1 (9)O3Vviii—Ti1A—O5A101.82
O3Aiv—La1A—O5A163.6 (9)O2Axii—Ti1A—O5A121.5 (13)
O1Ai—La1A—O1Bii75.3 (11)O4Biii—Ti1A—O5A104.7 (12)
O1Ai—La1A—O2Aiii75.8 (10)O2Axii—Ti1A—O3Vviii67.59
O1Ai—La1A—O2Biii177.3 (10)O3Vviii—Ti1A—O4Biii74.25
O1Ai—La1A—O4Biii108.1 (10)O2Axii—Ti1A—O4Biii124.2 (14)
O1Ai—La1A—O3Aiv114.7 (11)O3A—Ti1A—O5A115.1 (13)
O1Bii—La1A—O2Aiii103.1 (10)O3A—Ti1A—O3Vviii143.03
O1Bii—La1A—O2Biii102.3 (10)O2Bxii—Ti1B—O3A92.4 (12)
O1Bii—La1A—O4Biii172.8 (9)O3A—Ti1B—O4Aiii99.7 (12)
O1Bii—La1A—O3Aiv75.3 (8)O3V—Ti1B—O5B99.92
O2Aiii—La1A—O2Biii106.3 (10)O2Bxii—Ti1B—O5B120.7 (13)
O2Aiii—La1A—O4Biii72.1 (9)O4Aiii—Ti1B—O5B106.1 (13)
O2Aiii—La1A—O3Aiv56.7 (9)O3A—Ti1B—O5B114.3 (13)
O2Biii—La1A—O4Biii74.5 (9)O3A—Ti1B—O3V145.59
O2Biii—La1A—O3Aiv65.6 (9)O2Bxii—Ti1B—O4Aiii120.9 (14)
O3Aiv—La1A—O4Biii97.5 (8)O3V—Ti1B—O4Aiii65.33
O1Av—La1B—O1B111.9 (10)O2Bxii—Ti1B—O3V72.53
O1Avi—La1B—O1B81.5 (12)La1Bxiii—O1A—La1Bvi104.4 (14)
O1B—La1B—O2Biii72.0 (11)La1Bxiii—O1A—La2Bix107.3 (14)
O1B—La1B—O4Aiii109.9 (11)La1Bvi—O1A—La2Bix127.2 (10)
O1B—La1B—O3Viv112.51La1Axiv—O1A—La2Bix108.7 (14)
O1B—La1B—O2Avii163.7 (11)La1Axiv—O1A—La1Bvi102.3 (13)
O1Av—La1B—O1Avi75.5 (12)La1Axiv—O1A—La1Bxiii105.1 (8)
O1Av—La1B—O2Biii172.7 (10)La1Aii—O1B—La1B100.4 (13)
O1Av—La1B—O4Aiii106.1 (11)La1B—O1B—La2Aii113.9 (16)
O1Av—La1B—O3Viv113.79La1Aii—O1B—La2Aii108.1 (8)
O1Av—La1B—O2Avii83.5 (11)La1A—O1B—La2Aii114.2 (16)
O1Avi—La1B—O2Biii99.5 (10)La1A—O1B—La1B117.0 (10)
O1Avi—La1B—O4Aiii166.1 (11)La1A—O1B—La1Aii100.8 (13)
O1Avi—La1B—O3Viv65.56La2B—O2A—Ga1Axv122.9 (16)
O1Avi—La1B—O2Avii98.0 (10)La1Aiv—O2A—La1Bxi94.9 (10)
O2Biii—La1B—O4Aiii77.5 (10)La1Aiv—O2A—Ga1Axv95.2 (13)
O2Biii—La1B—O3Viv59.00La1Bxi—O2A—La2B107.9 (10)
O2Avii—La1B—O2Biii92.1 (11)La1Aiv—O2A—La2B99.2 (9)
O3Viv—La1B—O4Aiii101.89La1Bxi—O2A—Ga1Axv125.5 (14)
O2Avii—La1B—O4Aiii68.8 (10)La1Biv—O2B—La2A106.9 (10)
O2Avii—La1B—O3Viv53.78La1Aiv—O2B—Ga1Bxv98.4 (12)
O2B—La2A—O4A73.1 (10)La1Biv—O2B—Ga1Bxv122.7 (13)
O2B—La2A—O4B79.7 (10)La1Aiv—O2B—La2A101.4 (10)
O1Bii—La2A—O2B173.8 (10)La2A—O2B—Ga1Bxv119.8 (16)
O2B—La2A—O5Aii106.2 (10)La1Aiv—O2B—La1Biv103.4 (12)
O2B—La2A—O5Bii104.4 (9)La2Aiii—O3A—Ga1B93.8 (10)
O2B—La2A—O3Aiv98.3 (8)Ti1A—O3A—Ti1B141.8 (13)
O4A—La2A—O4B116.0 (10)Ga1A—O3A—Ga1B141.8 (13)
O1Bii—La2A—O4A101.9 (12)La1Aiii—O3A—Ga1A111.1 (13)
O4A—La2A—O5Aii71.2 (11)La2Aiii—O3A—Ga1A100.9 (11)
O4A—La2A—O5Bii171.9 (10)La1Aiii—O3A—Ga1B100.5 (11)
O3Aiv—La2A—O4A68.4 (10)La1Aiii—O3A—La2Aiii100.3 (8)
O1Bii—La2A—O4B99.6 (11)La1Aiii—O3A—Ti1A111.1 (13)
O4B—La2A—O5Aii172.2 (11)La2Aiii—O3A—Ti1A100.9 (11)
O4B—La2A—O5Bii70.6 (11)La1Aiii—O3A—Ti1B100.5 (11)
O3Aiv—La2A—O4B59.8 (9)La2Aiii—O3A—Ti1B93.8 (10)
O1Bii—La2A—O5Aii75.1 (11)La1Biii—O3V—La2Bvii104.83
O1Bii—La2A—O5Bii81.1 (11)La2Bvii—O3V—Ti1B100.44
O1Bii—La2A—O3Aiv76.1 (8)La1Biii—O3V—Ti1B99.94
O5Aii—La2A—O5Bii102.6 (11)La2A—O4A—Ga1Biv97.7 (13)
O3Aiv—La2A—O5Aii123.2 (9)La2A—O4A—La2Bxvi103.3 (12)
O3Aiv—La2A—O5Bii119.7 (9)La1Biv—O4A—La2A101.0 (12)
O2A—La2B—O4B82.1 (10)La1Biv—O4A—La2Bxvi111.6 (13)
O2A—La2B—O4Aviii71.6 (11)La2Bxvi—O4A—Ga1Biv137.7 (17)
O1Aix—La2B—O2A159.6 (9)La1Biv—O4A—Ga1Biv99.6 (14)
O2A—La2B—O5Ax106.6 (10)La2A—O4B—La2B110.4 (12)
O2A—La2B—O5Bii108.8 (9)La1Aiv—O4B—La2A104.2 (10)
O2A—La2B—O3Vxi97.72La2A—O4B—Ga1Aiv105.2 (14)
O4Aviii—La2B—O4B97.4 (11)La1Aiv—O4B—La2B106.6 (10)
O1Aix—La2B—O4B89.8 (10)La2B—O4B—Ga1Aiv130.0 (15)
O4B—La2B—O5Ax167.3 (8)La1Aiv—O4B—Ga1Aiv97.2 (14)
O4B—La2B—O5Bii72.6 (11)La2Bx—O5A—Ti1A125.7 (15)
O3Vxi—La2B—O4B56.59La1A—O5A—Ga1A90.8 (12)
O1Aix—La2B—O4Aviii91.1 (11)La1A—O5A—Ti1A90.8 (12)
O4Aviii—La2B—O5Ax77.2 (11)La1A—O5A—La2Bx100.4 (9)
O4Aviii—La2B—O5Bii169.6 (11)La1A—O5A—La2Aii98.9 (9)
O3Vxi—La2B—O4Aviii52.34La2Bx—O5A—Ga1A125.7 (15)
O1Aix—La2B—O5Ax79.0 (10)La2Aii—O5A—Ti1A123.2 (16)
O1Aix—La2B—O5Bii86.3 (10)La2Aii—O5A—La2Bx107.3 (13)
O1Aix—La2B—O3Vxi62.45La2Aii—O5A—Ga1A123.2 (16)
O5Ax—La2B—O5Bii112.1 (11)La2Aii—O5B—Ga1B122.3 (16)
O3Vxi—La2B—O5Ax112.17La2Bii—O5B—Ga1B131.0 (17)
O3Vxi—La2B—O5Bii117.93La2Bii—O5B—Ti1B131.0 (17)
O3A—Ga1A—O5A115.1 (13)La2Aii—O5B—La2Bii106.5 (12)
O2Axii—Ga1A—O3A92.9 (13)La2Aii—O5B—Ti1B122.3 (16)
O3A—Ga1A—O4Biii94.2 (13)
O5A—La1A—O1B—La1B122.5 (16)O1Bii—La2A—O4B—La1Aiv169.5 (11)
O5A—La1A—O1B—La1Aii129.8 (13)O1Bii—La2A—O4B—Ga1Aiv67.8 (15)
O5A—La1A—O1B—La2Aii14.1 (11)O5Bii—La2A—O4B—La2B0.5 (8)
O1Ai—La1A—O1B—La1B177.4 (13)O5Bii—La2A—O4B—La1Aiv113.6 (10)
O1Ai—La1A—O1B—La1Aii69.7 (13)O5Bii—La2A—O4B—Ga1Aiv144.7 (14)
O1Ai—La1A—O1B—La2Aii45.9 (15)O3Aiv—La2A—O4B—La2B144.0 (13)
O1Bii—La1A—O1B—La1B107.7 (15)O3Aiv—La2A—O4B—La1Aiv101.9 (13)
O1Bii—La1A—O1B—La1Aii0.0 (10)O3Aiv—La2A—O4B—Ga1Aiv0.2 (10)
O1Bii—La1A—O1B—La2Aii115.6 (13)O4A—La2A—O1Bii—La1A60.1 (16)
O2Biii—La1A—O1B—La1B0.6 (11)O4A—La2A—O1Bii—La1Aii51.3 (14)
O2Biii—La1A—O1B—La1Aii108.3 (12)O4A—La2A—O1Bii—La1Bii170.7 (12)
O2Biii—La1A—O1B—La2Aii136.1 (14)O4B—La2A—O1Bii—La1A59.2 (16)
O4Biii—La1A—O1B—La1B66.3 (16)O4B—La2A—O1Bii—La1Aii170.6 (12)
O4Biii—La1A—O1B—La1Aii174.0 (9)O4B—La2A—O1Bii—La1Bii51.4 (13)
O4Biii—La1A—O1B—La2Aii70.4 (13)O5Aii—La2A—O1Bii—La1A126.7 (17)
O3Aiv—La1A—O1B—La1B41.5 (17)O5Bii—La2A—O1Bii—La1A127.6 (16)
O3Aiv—La1A—O1B—La1Aii66.2 (12)O3Aiv—La2A—O1Bii—La1A3.8 (13)
O3Aiv—La1A—O1B—La2Aii178.2 (9)O2B—La2A—O5Aii—La2Bxvi57.6 (11)
O1B—La1A—O5A—Ga1A111.5 (14)O2B—La2A—O5Aii—La1Aii161.5 (9)
O1B—La1A—O5A—La2Bx122.0 (13)O2B—La2A—O5Aii—Ga1Aii101.6 (15)
O1B—La1A—O5A—La2Aii12.4 (10)O4A—La2A—O5Aii—La2Bxvi7.7 (9)
O1Ai—La1A—O5A—Ga1A127.2 (14)O4A—La2A—O5Aii—La1Aii96.2 (11)
O1Ai—La1A—O5A—La2Bx0.6 (10)O4A—La2A—O5Aii—Ga1Aii166.9 (16)
O1Ai—La1A—O5A—La2Aii109.0 (12)O2B—La2A—O5Bii—La2B73.9 (10)
O1Bii—La1A—O5A—Ga1A173.4 (13)O2B—La2A—O5Bii—Ga1Bii110.2 (14)
O1Bii—La1A—O5A—La2Bx60.1 (16)O4B—La2A—O5Bii—La2B0.5 (8)
O1Bii—La1A—O5A—La2Aii49.5 (16)O4B—La2A—O5Bii—Ga1Bii176.4 (15)
O2Aiii—La1A—O5A—Ga1A62.5 (14)O1Bii—La2A—O5Bii—La2B103.1 (11)
O2Aiii—La1A—O5A—La2Bx64.0 (13)O5Aii—La2A—O5Bii—La2B175.5 (8)
O2Aiii—La1A—O5A—La2Aii173.6 (9)O3Aiv—La2A—O5Bii—La2B34.8 (12)
O2Biii—La1A—O5A—Ga1A55.7 (14)O2B—La2A—O3Aiv—La1A173.3 (11)
O2Biii—La1A—O5A—La2Bx177.7 (10)O2B—La2A—O3Aiv—Ga1Aiv72.7 (12)
O2Biii—La1A—O5A—La2Aii68.2 (12)O2B—La2A—O3Aiv—Ga1Biv71.9 (11)
O4Biii—La1A—O5A—Ga1A7.1 (11)O4A—La2A—O3Aiv—La1A105.2 (13)
O4Biii—La1A—O5A—La2Bx119.5 (13)O4A—La2A—O3Aiv—Ga1Aiv140.7 (13)
O4Biii—La1A—O5A—La2Aii130.9 (14)O4A—La2A—O3Aiv—Ga1Biv3.8 (9)
O1B—La1A—O1Ai—La1Bviii173.4 (11)O4B—La2A—O3Aiv—La1A113.9 (13)
O1B—La1A—O1Ai—La2Bx58.8 (14)O4B—La2A—O3Aiv—Ga1Aiv0.2 (10)
O1B—La1A—O1Ai—La1Bii77.8 (14)O4B—La2A—O3Aiv—Ga1Biv144.7 (12)
O5A—La1A—O1Ai—La1Bviii115.3 (13)O1Bii—La2A—O3Aiv—La1A3.8 (13)
O5A—La1A—O1Ai—La2Bx0.6 (11)O5Aii—La2A—O3Aiv—La1A57.6 (14)
O5A—La1A—O1Ai—La1Bii136.0 (13)O5Bii—La2A—O3Aiv—La1A74.8 (13)
O1B—La1A—O1Bii—La2A120.1 (17)O4B—La2B—O2A—Ga1Axv102.9 (19)
O1B—La1A—O1Bii—La1Aii0.0 (11)O4B—La2B—O2A—La1Bxi97.8 (12)
O1B—La1A—O1Bii—La1Bii120.4 (12)O4B—La2B—O2A—La1Aiv0.5 (10)
O5A—La1A—O1Bii—La2A177.0 (12)O4Aviii—La2B—O2A—Ga1Axv157 (2)
O5A—La1A—O1Bii—La1Aii56.9 (16)O4Aviii—La2B—O2A—La1Bxi2.7 (12)
O5A—La1A—O1Bii—La1Bii63.5 (15)O4Aviii—La2B—O2A—La1Aiv101.0 (12)
O1Ai—La1A—O1Bii—La2A125.2 (17)O1Aix—La2B—O2A—Ga1Axv170 (3)
O2Aiii—La1A—O1Bii—La2A54.0 (16)O1Aix—La2B—O2A—La1Bxi30 (4)
O2Biii—La1A—O1Bii—La2A56.2 (16)O1Aix—La2B—O2A—La1Aiv68 (4)
O3Aiv—La1A—O1Bii—La2A4.1 (14)O5Ax—La2B—O2A—Ga1Axv87 (2)
O5A—La1A—O2Aiii—La1Bviii56.3 (11)O5Ax—La2B—O2A—La1Bxi72.7 (13)
O5A—La1A—O2Aiii—La2Biii52.8 (13)O5Ax—La2B—O2A—La1Aiv171.0 (9)
O5A—La1A—O2Aiii—Ga1Aiv177.4 (11)O5Bii—La2B—O2A—Ga1Axv34 (2)
O1B—La1A—O2Biii—La1B0.5 (10)O5Bii—La2B—O2A—La1Bxi166.3 (11)
O1B—La1A—O2Biii—La2Aiii110.1 (12)O5Bii—La2B—O2A—La1Aiv68.0 (11)
O1B—La1A—O2Biii—Ga1Biv127.1 (15)O2A—La2B—O4B—La2A113.1 (11)
O5A—La1A—O2Biii—La1B57.0 (11)O2A—La2B—O4B—La1Aiv0.6 (11)
O5A—La1A—O2Biii—La2Aiii53.6 (13)O2A—La2B—O4B—Ga1Aiv114 (2)
O5A—La1A—O2Biii—Ga1Biv176.4 (11)O4Aviii—La2B—O4B—La2A176.7 (11)
O1Bii—La1A—O2Biii—La1B72.1 (10)O4Aviii—La2B—O4B—La1Aiv70.7 (12)
O2Aiii—La1A—O2Biii—La1B179.9 (7)O4Aviii—La2B—O4B—Ga1Aiv44 (2)
O4Biii—La1A—O2Biii—La1B114.5 (10)O1Aix—La2B—O4B—La2A85.6 (11)
O3Aiv—La1A—O2Biii—La1B139.5 (11)O1Aix—La2B—O4B—La1Aiv161.8 (12)
O1B—La1A—O4Biii—Ga1A50.7 (15)O1Aix—La2B—O4B—Ga1Aiv47 (2)
O1B—La1A—O4Biii—La2Aiii57.0 (12)O5Bii—La2B—O4B—La2A0.5 (8)
O1B—La1A—O4Biii—La2Biii173.7 (11)O5Bii—La2B—O4B—La1Aiv112.0 (11)
O5A—La1A—O4Biii—Ga1A7.3 (11)O5Bii—La2B—O4B—Ga1Aiv133 (2)
O5A—La1A—O4Biii—La2Aiii115.0 (13)O2A—La2B—O4Aviii—La2Aviii104.9 (13)
O5A—La1A—O4Biii—La2Biii128.3 (14)O2A—La2B—O4Aviii—La1Bxi2.8 (12)
O1Ai—La1A—O4Biii—Ga1A67.3 (15)O2A—La2B—O4Aviii—Ga1Bxi137 (3)
O2Aiii—La1A—O4Biii—Ga1A135.1 (15)O4B—La2B—O4Aviii—La2Aviii176.0 (10)
O2Biii—La1A—O4Biii—Ga1A111.6 (14)O4B—La2B—O4Aviii—La1Bxi76.3 (13)
O3Aiv—La1A—O4Biii—Ga1A173.6 (13)O4B—La2B—O4Aviii—Ga1Bxi58 (3)
O1B—La1A—O3Aiv—La2A64.9 (13)O2A—La2B—O1Aix—La1Bviii14 (5)
O1B—La1A—O3Aiv—Ga1Aiv170.9 (11)O2A—La2B—O1Aix—La1Ax109 (3)
O1B—La1A—O3Aiv—Ga1Biv31.0 (13)O2A—La2B—O1Aix—La1Bii138 (3)
O1Ai—La1A—O3Aiv—La2A69.3 (13)O4B—La2B—O1Aix—La1Bviii52 (2)
O1Bii—La1A—O3Aiv—La2A3.5 (12)O4B—La2B—O1Aix—La1Ax174.8 (12)
O2Aiii—La1A—O3Aiv—La2A120.5 (13)O4B—La2B—O1Aix—La1Bii72.1 (12)
O2Biii—La1A—O3Aiv—La2A107.7 (12)O2A—La2B—O5Ax—La2Aviii57.6 (11)
O4Biii—La1A—O3Aiv—La2A176.8 (11)O2A—La2B—O5Ax—La1Ax160.4 (10)
O1Av—La1B—O1B—La1A172.9 (13)O2A—La2B—O5Ax—Ga1Ax101.0 (16)
O1Av—La1B—O1B—La1Aii64.9 (13)O2A—La2B—O5Bii—La2A75.5 (11)
O1Av—La1B—O1B—La2Aii50.3 (15)O2A—La2B—O5Bii—Ga1Bii109.1 (17)
O1Avi—La1B—O1B—La1A102.3 (15)O4B—La2B—O5Bii—La2A0.5 (8)
O1Avi—La1B—O1B—La1Aii5.6 (10)O4B—La2B—O5Bii—Ga1Bii175.9 (17)
O1Avi—La1B—O1B—La2Aii120.9 (13)O1Aix—La2B—O5Bii—La2A90.5 (10)
O2Biii—La1B—O1B—La1A0.6 (12)O5Ax—La2B—O5Bii—La2A167.0 (8)
O2Biii—La1B—O1B—La1Aii108.6 (11)O5A—Ga1A—O3A—Ga1B3 (2)
O2Biii—La1B—O1B—La2Aii136.2 (14)O5A—Ga1A—O3A—La1Aiii146.2 (10)
O4Aiii—La1B—O1B—La1A69.5 (17)O5A—Ga1A—O3A—La2Aiii108.1 (11)
O4Aiii—La1B—O1B—La1Aii177.5 (10)O2Axii—Ga1A—O3A—Ga1B124 (2)
O4Aiii—La1B—O1B—La2Aii67.3 (15)O2Axii—Ga1A—O3A—La1Aiii19.2 (14)
O1B—La1B—O1Av—La1Axvi178.3 (11)O2Axii—Ga1A—O3A—La2Aiii124.9 (12)
O1B—La1B—O1Av—La2Bii62.8 (14)O4Biii—Ga1A—O3A—Ga1B111 (2)
O1B—La1B—O1Avi—La2Bxvi119 (2)O4Biii—Ga1A—O3A—La1Aiii105.4 (13)
O1B—La1B—O1Avi—La1Aii5.9 (11)O4Biii—Ga1A—O3A—La2Aiii0.2 (12)
O1B—La1B—O2Biii—La1A0.5 (9)O3A—Ga1A—O5A—La1A92.4 (12)
O1B—La1B—O2Biii—La2Aiii106.0 (13)O3A—Ga1A—O5A—La2Bx164.2 (13)
O1B—La1B—O2Biii—Ga1Biv110 (2)O3A—Ga1A—O5A—La2Aii8.8 (18)
O1Avi—La1B—O2Biii—La1A77.3 (10)O2Axii—Ga1A—O5A—La1A156.9 (13)
O4Aiii—La1B—O2Biii—La1A116.5 (10)O2Axii—Ga1A—O5A—La2Bx54 (2)
O2Avii—La1B—O2Biii—La1A175.8 (8)O2Axii—Ga1A—O5A—La2Aii101.9 (18)
O1B—La1B—O4Aiii—Ga1B43.6 (16)O4Biii—Ga1A—O5A—La1A9.5 (15)
O1B—La1B—O4Aiii—La2Aiii56.3 (13)O4Biii—Ga1A—O5A—La2Bx93.9 (16)
O1B—La1B—O4Aiii—La2Bvii165.5 (12)O4Biii—Ga1A—O5A—La2Aii110.7 (15)
O1Av—La1B—O4Aiii—Ga1B77.6 (15)O3A—Ga1A—O2Axii—La2Bxii88.8 (18)
O2Biii—La1B—O4Aiii—Ga1B109.0 (14)O3A—Ga1A—O2Axii—La1Aiii15.7 (11)
O2Avii—La1B—O4Aiii—Ga1B153.8 (16)O5A—Ga1A—O2Axii—La2Bxii33 (2)
O4A—La2A—O2B—Ga1Bxv136.0 (19)O5A—Ga1A—O2Axii—La1Aiii137.7 (13)
O4A—La2A—O2B—La1Aiv117.4 (12)O3A—Ga1A—O4Biii—La1A107.1 (12)
O4A—La2A—O2B—La1Biv9.4 (11)O3A—Ga1A—O4Biii—La2Aiii0.2 (13)
O4B—La2A—O2B—Ga1Bxv102.6 (18)O3A—Ga1A—O4Biii—La2Biii134.0 (19)
O4B—La2A—O2B—La1Aiv4.0 (10)O5A—Ga1A—O4Biii—La1A10.2 (16)
O4B—La2A—O2B—La1Biv111.9 (12)O5A—Ga1A—O4Biii—La2Aiii117.1 (14)
O5Aii—La2A—O2B—Ga1Bxv72.1 (18)O5A—Ga1A—O4Biii—La2Biii109 (2)
O5Aii—La2A—O2B—La1Aiv178.7 (9)O2Axii—Ga1A—O4Biii—La1A156.5 (14)
O5Aii—La2A—O2B—La1Biv73.4 (13)O5B—Ga1B—O3A—Ga1A5 (2)
O5Bii—La2A—O2B—Ga1Bxv36.0 (19)O5B—Ga1B—O3A—La1Aiii141.0 (10)
O5Bii—La2A—O2B—La1Aiv70.7 (11)O5B—Ga1B—O3A—La2Aiii117.8 (10)
O5Bii—La2A—O2B—La1Biv178.6 (11)O2Bxii—Ga1B—O3A—Ga1A130 (2)
O3Aiv—La2A—O2B—Ga1Bxv159.7 (16)O2Bxii—Ga1B—O3A—La1Aiii15.7 (12)
O3Aiv—La2A—O2B—La1Aiv53.1 (11)O2Bxii—Ga1B—O3A—La2Aiii116.9 (11)
O3Aiv—La2A—O2B—La1Biv54.9 (13)O4Aiii—Ga1B—O3A—Ga1A108 (2)
O2B—La2A—O4A—La2Bxvi106.4 (13)O4Aiii—Ga1B—O3A—La1Aiii106.3 (12)
O2B—La2A—O4A—La1Biv9.1 (10)O4Aiii—Ga1B—O3A—La2Aiii5.0 (12)
O2B—La2A—O4A—Ga1Biv110.6 (14)O3A—Ga1B—O5B—La2Aii4.4 (16)
O4B—La2A—O4A—La2Bxvi175.6 (9)O3A—Ga1B—O5B—La2Bii179.2 (12)
O4B—La2A—O4A—La1Biv60.0 (13)O2Bxii—Ga1B—O5B—La2Aii113.0 (16)
O4B—La2A—O4A—Ga1Biv41.4 (15)O2Bxii—Ga1B—O5B—La2Bii72 (2)
O1Bii—La2A—O4A—La2Bxvi77.4 (13)O4Aiii—Ga1B—O5B—La2Aii104.5 (15)
O1Bii—La2A—O4A—La1Biv167.0 (11)O4Aiii—Ga1B—O5B—La2Bii70.3 (18)
O1Bii—La2A—O4A—Ga1Biv65.6 (14)O3A—Ga1B—O2Bxii—La2Axii93.9 (16)
O5Aii—La2A—O4A—La2Bxvi7.8 (9)O3A—Ga1B—O2Bxii—La1Aiii14.4 (11)
O5Aii—La2A—O4A—La1Biv123.4 (12)O3A—Ga1B—O2Bxii—La1Biii126.3 (17)
O5Aii—La2A—O4A—Ga1Biv135.2 (14)O5B—Ga1B—O2Bxii—La2Axii26 (2)
O3Aiv—La2A—O4A—La2Bxvi147.1 (14)O5B—Ga1B—O2Bxii—La1Aiii134.6 (14)
O3Aiv—La2A—O4A—La1Biv97.3 (12)O5B—Ga1B—O2Bxii—La1Biii113.6 (19)
O3Aiv—La2A—O4A—Ga1Biv4.1 (10)O3A—Ga1B—O4Aiii—La1B97.5 (12)
O2B—La2A—O4B—La2B109.9 (11)O3A—Ga1B—O4Aiii—La2Aiii5.1 (12)
O2B—La2A—O4B—La1Aiv4.2 (10)O3A—Ga1B—O4Aiii—La2Bvii125 (2)
O2B—La2A—O4B—Ga1Aiv105.9 (14)O5B—Ga1B—O4Aiii—La1B21.4 (17)
O4A—La2A—O4B—La2B175.3 (10)O5B—Ga1B—O4Aiii—La2Aiii124.0 (13)
O4A—La2A—O4B—La1Aiv61.2 (12)O5B—Ga1B—O4Aiii—La2Bvii117 (3)
O4A—La2A—O4B—Ga1Aiv40.5 (16)O2Bxii—Ga1B—O4Aiii—La1B163.8 (13)
O1Bii—La2A—O4B—La2B76.4 (11)
Symmetry codes: (i) x, y+1, z; (ii) x+1, y+1, z+1; (iii) x, y+3/2, z1/2; (iv) x, y+3/2, z+1/2; (v) x+1, y+1, z; (vi) x+1, y, z+1; (vii) x+1, y+3/2, z1/2; (viii) x1, y, z; (ix) x, y, z+1; (x) x, y+1, z+1; (xi) x1, y+3/2, z+1/2; (xii) x, y, z1; (xiii) x1, y1, z; (xiv) x, y1, z; (xv) x, y, z+1; (xvi) x+1, y, z.
(7) top
Crystal data top
Ga2La4O9Z = 4
Mr = 839.08Dx = 5.689 Mg m3
Monoclinic, P21/cCu Kα radiation, λ = 1.5418 Å
a = 7.98082 (7) ÅT = 293 K
b = 11.20250 (11) ÅParticle morphology: irregular
c = 11.62961 (11) Åpale yellow
β = 109.4874 (7)°irregular, ? × ? × ? mm
V = 980.19 (2) Å3Specimen preparation: Prepared at 1573 K
Data collection top
Bruker AXS D4 Endeavor
diffractometer
Data collection mode: reflection
Radiation source: sealed X-ray tubeScan method: step
Graphite, secondary monochromator2θmin = 10°, 2θmax = 140°, 2θstep = 0.020°
Specimen mounting: flat plate
Refinement top
Rp = 0.062Profile function: TOPAS Fundamental parameters approach
Rwp = 0.08663 parameters
Rexp = 0.060(Δ/σ)max = 0.001
χ2 = 2.079Background function: Chebychev polynomial, order 6
6501 data pointsPreferred orientation correction: none
Excluded region(s): none
Crystal data top
Ga2La4O9β = 109.4874 (7)°
Mr = 839.08V = 980.19 (2) Å3
Monoclinic, P21/cZ = 4
a = 7.98082 (7) ÅCu Kα radiation, λ = 1.5418 Å
b = 11.20250 (11) ÅT = 293 K
c = 11.62961 (11) Åirregular, ? × ? × ? mm
Data collection top
Bruker AXS D4 Endeavor
diffractometer
Scan method: step
Specimen mounting: flat plate2θmin = 10°, 2θmax = 140°, 2θstep = 0.020°
Data collection mode: reflection
Refinement top
Rp = 0.062χ2 = 2.079
Rwp = 0.0866501 data points
Rexp = 0.06063 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzBiso*/Beq
La2a0.5230 (4)0.5982 (2)0.78796 (19)0.622 (15)
La2b0.0256 (4)0.5859 (2)0.80958 (19)0.622 (15)
La1a0.3347 (4)0.6246 (3)0.4273 (2)0.622 (15)
La1b0.8361 (4)0.6237 (3)0.4155 (2)0.622 (15)
Ga1a0.2212 (7)0.6928 (5)0.1296 (4)0.98 (6)
Ga1b0.6543 (7)0.6882 (5)0.1185 (5)0.98 (6)
O4a0.781 (3)0.725 (3)0.743 (2)0.63 (13)
O4b0.239 (3)0.717 (3)0.771 (2)0.63 (13)
O5a0.228 (3)0.540 (2)0.184 (2)0.63 (13)
O2a0.081 (3)0.733 (3)0.975 (2)0.63 (13)
O3a0.418 (3)0.7461 (18)0.116 (2)0.63 (13)
O2b0.635 (3)0.729 (3)0.9647 (19)0.63 (13)
O5b0.688 (3)0.538 (2)0.165 (2)0.63 (13)
O1a0.096 (4)0.506 (2)0.394 (3)0.63 (13)
O1b0.568 (4)0.511 (2)0.393 (3)0.63 (13)
Geometric parameters (Å, º) top
La1A—O1B2.40 (3)La2A—O1Bii2.33 (2)
La1A—O5A2.83 (2)La2A—O5Aii2.45 (2)
La1A—O1Ai2.33 (3)La2A—O5Bii2.47 (2)
La1A—O1Bii2.48 (2)La2A—O3Aiv2.57 (2)
La1A—O2Aiii2.78 (2)La2B—O2A2.46 (2)
La1A—O2Biii2.82 (3)La2B—O4B2.40 (2)
La1A—O4Biii2.47 (2)La2B—O4Aviii2.42 (3)
La1A—O3Aiv2.53 (2)La2B—O1Aix2.41 (2)
La1B—O1B2.42 (3)La2B—O5Ax2.49 (2)
La1B—O5B2.92 (2)La2B—O5Bii2.60 (2)
La1B—O1Av2.61 (3)Ga1A—O3A1.74 (3)
La1B—O1Avi2.48 (2)Ga1A—O5A1.82 (2)
La1B—O2Biii2.51 (3)Ga1A—O2Axi1.83 (2)
La1B—O4Aiii2.55 (3)Ga1A—O4Biii1.90 (2)
La1B—O2Avii2.44 (2)Ga1B—O3A1.99 (3)
La2A—O2B2.44 (3)Ga1B—O5B1.76 (2)
La2A—O4A2.69 (3)Ga1B—O2Bxi1.80 (2)
La2A—O4B2.58 (2)Ga1B—O4Aiii1.76 (3)
O1B—La1A—O5A69.4 (7)O1Aix—La2B—O4B97.0 (9)
O1Ai—La1A—O1B106.1 (9)O4B—La2B—O5Ax170.7 (7)
O1B—La1A—O1Bii77.0 (9)O4B—La2B—O5Bii72.5 (8)
O1B—La1A—O2Aiii176.3 (8)O1Aix—La2B—O4Aviii84.7 (9)
O1B—La1A—O2Biii70.7 (9)O4Aviii—La2B—O5Ax78.3 (9)
O1B—La1A—O4Biii109.0 (8)O4Aviii—La2B—O5Bii165.0 (8)
O1B—La1A—O3Aiv117.1 (8)O1Aix—La2B—O5Ax75.8 (9)
O1Ai—La1A—O5A70.6 (8)O1Aix—La2B—O5Bii88.2 (9)
O1Bii—La1A—O5A122.9 (7)O5Ax—La2B—O5Bii112.7 (7)
O2Aiii—La1A—O5A113.3 (7)O3A—Ga1A—O5A115.6 (11)
O2Biii—La1A—O5A107.9 (7)O2Axi—Ga1A—O3A95.8 (11)
O4Biii—La1A—O5A65.8 (7)O3A—Ga1A—O4Biii95.0 (11)
O3Aiv—La1A—O5A164.6 (7)O2Axi—Ga1A—O5A120.7 (10)
O1Ai—La1A—O1Bii76.5 (9)O4Biii—Ga1A—O5A102.4 (10)
O1Ai—La1A—O2Aiii77.5 (8)O2Axi—Ga1A—O4Biii124.5 (10)
O1Ai—La1A—O2Biii176.7 (9)O3A—Ga1B—O5B111.3 (11)
O1Ai—La1A—O4Biii107.1 (8)O2Bxi—Ga1B—O3A97.8 (11)
O1Ai—La1A—O3Aiv117.9 (8)O3A—Ga1B—O4Aiii96.5 (11)
O1Bii—La1A—O2Aiii103.0 (8)O2Bxi—Ga1B—O5B120.1 (13)
O1Bii—La1A—O2Biii102.4 (9)O4Aiii—Ga1B—O5B106.8 (13)
O1Bii—La1A—O4Biii171.3 (7)O2Bxi—Ga1B—O4Aiii120.8 (14)
O1Bii—La1A—O3Aiv72.5 (7)La1Axii—O1A—La1Bxiii105.4 (8)
O2Aiii—La1A—O2Biii105.8 (8)La1Bxiii—O1A—La2Bix103.2 (10)
O2Aiii—La1A—O4Biii70.6 (7)La1Bxiii—O1A—La1Bvi98.9 (10)
O2Aiii—La1A—O3Aiv59.7 (7)La1Axii—O1A—La2Bix115.8 (11)
O2Biii—La1A—O4Biii74.4 (8)La1Axii—O1A—La1Bvi105.2 (10)
O2Biii—La1A—O3Aiv64.3 (7)La1Bvi—O1A—La2Bix125.2 (10)
O3Aiv—La1A—O4Biii98.9 (7)La1A—O1B—La1B114.4 (9)
O1B—La1B—O5B70.8 (7)La1A—O1B—La1Aii103.1 (10)
O1Av—La1B—O1B113.6 (8)La1A—O1B—La2Aii113.8 (12)
O1Avi—La1B—O1B75.0 (9)La1Aii—O1B—La1B102.2 (10)
O1B—La1B—O2Biii76.1 (9)La1B—O1B—La2Aii111.7 (11)
O1B—La1B—O4Aiii110.3 (8)La1Aii—O1B—La2Aii110.7 (9)
O1B—La1B—O2Avii165.3 (8)La2B—O2A—Ga1Axiv119.7 (11)
O1Av—La1B—O5B78.0 (7)La1Bxv—O2A—La2B107.5 (9)
O1Avi—La1B—O5B127.8 (7)La1Aiv—O2A—La2B100.5 (8)
O2Biii—La1B—O5B111.7 (7)La1Bxv—O2A—Ga1Axiv127.5 (11)
O4Aiii—La1B—O5B61.8 (8)La1Aiv—O2A—Ga1Axiv95.2 (10)
O2Avii—La1B—O5B121.2 (7)La1Aiv—O2A—La1Bxv97.7 (8)
O1Av—La1B—O1Avi81.1 (9)La2A—O2B—Ga1Bxiv124.8 (16)
O1Av—La1B—O2Biii168.7 (8)La1Aiv—O2B—La2A99.6 (8)
O1Av—La1B—O4Aiii103.2 (8)La1Biv—O2B—La2A106.7 (8)
O1Av—La1B—O2Avii78.9 (8)La1Aiv—O2B—Ga1Bxiv95.0 (10)
O1Avi—La1B—O2Biii96.6 (9)La1Biv—O2B—Ga1Bxiv123.1 (12)
O1Avi—La1B—O4Aiii170.4 (8)La1Aiv—O2B—La1Biv99.1 (11)
O1Avi—La1B—O2Avii100.4 (8)Ga1A—O3A—Ga1B140.4 (12)
O2Biii—La1B—O4Aiii77.5 (8)La1Aiii—O3A—Ga1A107.0 (11)
O2Avii—La1B—O2Biii90.7 (9)La2Aiii—O3A—Ga1A103.4 (10)
O2Avii—La1B—O4Aiii72.4 (8)La1Aiii—O3A—Ga1B100.0 (9)
O2B—La2A—O4A76.0 (8)La2Aiii—O3A—Ga1B98.5 (9)
O2B—La2A—O4B79.6 (8)La1Aiii—O3A—La2Aiii102.1 (7)
O1Bii—La2A—O2B172.9 (10)La2A—O4A—La2Bxvi100.7 (11)
O2B—La2A—O5Aii102.4 (8)La1Biv—O4A—La2A98.1 (8)
O2B—La2A—O5Bii105.5 (8)La2A—O4A—Ga1Biv100.7 (11)
O2B—La2A—O3Aiv100.4 (8)La1Biv—O4A—La2Bxvi105.5 (8)
O4A—La2A—O4B115.0 (8)La2Bxvi—O4A—Ga1Biv143.4 (13)
O1Bii—La2A—O4A97.3 (9)La1Biv—O4A—Ga1Biv100.4 (14)
O4A—La2A—O5Aii73.8 (9)La2A—O4B—La2B109.3 (8)
O4A—La2A—O5Bii173.2 (9)La1Aiv—O4B—La2A105.4 (9)
O3Aiv—La2A—O4A64.1 (8)La2A—O4B—Ga1Aiv98.7 (10)
O1Bii—La2A—O4B101.5 (9)La1Aiv—O4B—La2B111.5 (9)
O4B—La2A—O5Aii171.2 (8)La2B—O4B—Ga1Aiv129.5 (12)
O4B—La2A—O5Bii71.8 (8)La1Aiv—O4B—Ga1Aiv99.8 (9)
O3Aiv—La2A—O4B62.7 (7)La1A—O5A—Ga1A89.8 (8)
O1Bii—La2A—O5Aii77.6 (9)La1A—O5A—La2Bx97.8 (8)
O1Bii—La2A—O5Bii81.5 (9)La1A—O5A—La2Aii96.8 (8)
O1Bii—La2A—O3Aiv74.2 (7)La2Bx—O5A—Ga1A127.8 (12)
O5Aii—La2A—O5Bii99.4 (8)La2Aii—O5A—Ga1A124.7 (12)
O3Aiv—La2A—O5Aii124.8 (8)La2Aii—O5A—La2Bx105.6 (8)
O3Aiv—La2A—O5Bii121.6 (8)La1B—O5B—Ga1B87.8 (9)
O2A—La2B—O4B77.5 (8)La1B—O5B—La2Aii93.5 (7)
O2A—La2B—O4Aviii74.5 (8)La1B—O5B—La2Bii90.8 (7)
O1Aix—La2B—O2A157.7 (8)La2Aii—O5B—Ga1B127.9 (13)
O2A—La2B—O5Ax107.0 (8)La2Bii—O5B—Ga1B125.6 (12)
O2A—La2B—O5Bii110.1 (8)La2Aii—O5B—La2Bii106.5 (8)
O4Aviii—La2B—O4B95.4 (9)
O5A—La1A—O1B—La1B117.1 (11)O5Aii—La2A—O4A—La2Bxvi9.6 (8)
O5A—La1A—O1B—La1Aii132.9 (11)O5Aii—La2A—O4A—La1Biv117.2 (9)
O5A—La1A—O1B—La2Aii12.9 (9)O5Aii—La2A—O4A—Ga1Biv140.5 (13)
O1Ai—La1A—O1B—La1B178.5 (9)O3Aiv—La2A—O4A—La2Bxvi152.8 (11)
O1Ai—La1A—O1B—La1Aii71.5 (10)O3Aiv—La2A—O4A—La1Biv99.6 (10)
O1Ai—La1A—O1B—La2Aii48.5 (12)O3Aiv—La2A—O4A—Ga1Biv2.7 (10)
O1Bii—La1A—O1B—La1B109.9 (11)O2B—La2A—O4B—La2B112.3 (10)
O1Bii—La1A—O1B—La1Aii0.2 (9)O2B—La2A—O4B—La1Aiv7.6 (9)
O1Bii—La1A—O1B—La2Aii120.2 (12)O2B—La2A—O4B—Ga1Aiv110.4 (11)
O2Biii—La1A—O1B—La1B1.5 (8)O4A—La2A—O4B—La2B178.6 (7)
O2Biii—La1A—O1B—La1Aii108.5 (9)O4A—La2A—O4B—La1Aiv61.5 (10)
O2Biii—La1A—O1B—La2Aii131.5 (11)O4A—La2A—O4B—Ga1Aiv41.3 (11)
O4Biii—La1A—O1B—La1B63.5 (11)O1Bii—La2A—O4B—La2B74.8 (10)
O4Biii—La1A—O1B—La1Aii173.6 (8)O1Bii—La2A—O4B—La1Aiv165.3 (9)
O4Biii—La1A—O1B—La2Aii66.5 (12)O1Bii—La2A—O4B—Ga1Aiv62.5 (11)
O3Aiv—La1A—O1B—La1B47.5 (12)O5Bii—La2A—O4B—La2B2.1 (8)
O3Aiv—La1A—O1B—La1Aii62.5 (11)O5Bii—La2A—O4B—La1Aiv117.8 (9)
O3Aiv—La1A—O1B—La2Aii177.5 (8)O5Bii—La2A—O4B—Ga1Aiv139.4 (11)
O1B—La1A—O5A—Ga1A113.7 (11)O3Aiv—La2A—O4B—La2B140.1 (11)
O1B—La1A—O5A—La2Bx118.1 (9)O3Aiv—La2A—O4B—La1Aiv99.9 (10)
O1B—La1A—O5A—La2Aii11.3 (8)O3Aiv—La2A—O4B—Ga1Aiv2.9 (8)
O1Ai—La1A—O5A—Ga1A129.8 (12)O4A—La2A—O1Bii—La1A58.4 (13)
O1Ai—La1A—O5A—La2Bx1.6 (8)O4A—La2A—O1Bii—La1Aii57.5 (11)
O1Ai—La1A—O5A—La2Aii105.3 (10)O4A—La2A—O1Bii—La1Bii171.8 (10)
O1Bii—La1A—O5A—Ga1A171.7 (10)O4B—La2A—O1Bii—La1A59.1 (13)
O1Bii—La1A—O5A—La2Bx60.1 (12)O4B—La2A—O1Bii—La1Aii175.0 (9)
O1Bii—La1A—O5A—La2Aii46.7 (13)O4B—La2A—O1Bii—La1Bii54.3 (10)
O2Aiii—La1A—O5A—Ga1A63.5 (11)O5Aii—La2A—O1Bii—La1A129.9 (14)
O2Aiii—La1A—O5A—La2Bx64.7 (9)O5Bii—La2A—O1Bii—La1A128.5 (13)
O2Aiii—La1A—O5A—La2Aii171.5 (7)O3Aiv—La2A—O1Bii—La1A2.1 (11)
O2Biii—La1A—O5A—Ga1A53.2 (11)O2B—La2A—O5Aii—La2Bxvi61.7 (10)
O2Biii—La1A—O5A—La2Bx178.6 (8)O2B—La2A—O5Aii—La1Aii161.8 (8)
O2Biii—La1A—O5A—La2Aii71.8 (9)O2B—La2A—O5Aii—Ga1Aii103.7 (14)
O4Biii—La1A—O5A—Ga1A9.8 (9)O4A—La2A—O5Aii—La2Bxvi9.5 (7)
O4Biii—La1A—O5A—La2Bx118.4 (10)O4A—La2A—O5Aii—La1Aii90.6 (8)
O4Biii—La1A—O5A—La2Aii134.7 (10)O4A—La2A—O5Aii—Ga1Aii174.9 (15)
O1B—La1A—O1Ai—La1Bviii175.8 (7)O2B—La2A—O5Bii—La2B75.3 (10)
O1B—La1A—O1Ai—La2Bx62.4 (12)O2B—La2A—O5Bii—La1Bii166.8 (8)
O1B—La1A—O1Ai—La1Bii80.3 (10)O2B—La2A—O5Bii—Ga1Bii103.8 (15)
O5A—La1A—O1Ai—La1Bviii115.2 (9)O4B—La2A—O5Bii—La2B1.9 (7)
O5A—La1A—O1Ai—La2Bx1.8 (9)O4B—La2A—O5Bii—La1Bii93.5 (7)
O5A—La1A—O1Ai—La1Bii140.9 (12)O4B—La2A—O5Bii—Ga1Bii177.1 (16)
O1B—La1A—O1Bii—La2A122.1 (14)O1Bii—La2A—O5Bii—La2B103.2 (10)
O1B—La1A—O1Bii—La1Aii0.2 (9)O5Aii—La2A—O5Bii—La2B179.0 (8)
O1B—La1A—O1Bii—La1Bii118.7 (10)O3Aiv—La2A—O5Bii—La2B37.7 (11)
O5A—La1A—O1Bii—La2A176.7 (9)O2B—La2A—O3Aiv—La1A173.3 (9)
O5A—La1A—O1Bii—La1Aii54.3 (13)O2B—La2A—O3Aiv—Ga1Aiv75.7 (11)
O5A—La1A—O1Bii—La1Bii64.1 (13)O2B—La2A—O3Aiv—Ga1Biv71.1 (10)
O1Ai—La1A—O1Bii—La2A127.6 (14)O4A—La2A—O3Aiv—La1A104.6 (11)
O2Aiii—La1A—O1Bii—La2A54.1 (14)O4A—La2A—O3Aiv—Ga1Aiv144.4 (12)
O2Biii—La1A—O1Bii—La2A55.6 (14)O4A—La2A—O3Aiv—Ga1Biv2.4 (8)
O3Aiv—La1A—O1Bii—La2A2.1 (11)O4B—La2A—O3Aiv—La1A114.2 (10)
O5A—La1A—O2Aiii—La1Bviii56.6 (9)O4B—La2A—O3Aiv—Ga1Aiv3.2 (8)
O5A—La1A—O2Aiii—La2Biii52.9 (9)O4B—La2A—O3Aiv—Ga1Biv143.6 (11)
O5A—La1A—O2Aiii—Ga1Aiv174.4 (8)O1Bii—La2A—O3Aiv—La1A1.9 (10)
O1B—La1A—O2Biii—La1B1.4 (7)O5Aii—La2A—O3Aiv—La1A60.2 (11)
O1B—La1A—O2Biii—La2Aiii110.0 (10)O5Bii—La2A—O3Aiv—La1A71.1 (11)
O1B—La1A—O2Biii—Ga1Biv123.0 (13)O4B—La2B—O2A—Ga1Axiv103.8 (14)
O5A—La1A—O2Biii—La1B58.3 (9)O4B—La2B—O2A—La1Bxv99.9 (10)
O5A—La1A—O2Biii—La2Aiii50.4 (11)O4B—La2B—O2A—La1Aiv1.6 (7)
O5A—La1A—O2Biii—Ga1Biv177.4 (10)O4Aviii—La2B—O2A—Ga1Axiv156.9 (15)
O1Bii—La1A—O2Biii—La1B72.7 (9)O4Aviii—La2B—O2A—La1Bxv0.7 (9)
O2Aiii—La1A—O2Biii—La1B179.8 (7)O4Aviii—La2B—O2A—La1Aiv100.9 (9)
O4Biii—La1A—O2Biii—La1B115.7 (8)O1Aix—La2B—O2A—Ga1Axiv179 (2)
O3Aiv—La1A—O2Biii—La1B136.1 (10)O1Aix—La2B—O2A—La1Bxv22 (3)
O1B—La1A—O4Biii—Ga1A46.1 (12)O1Aix—La2B—O2A—La1Aiv79 (3)
O1B—La1A—O4Biii—La2Aiii55.8 (10)O5Ax—La2B—O2A—Ga1Axiv84.7 (14)
O1B—La1A—O4Biii—La2Biii174.3 (9)O5Ax—La2B—O2A—La1Bxv71.6 (10)
O5A—La1A—O4Biii—Ga1A9.6 (8)O5Ax—La2B—O2A—La1Aiv173.1 (7)
O5A—La1A—O4Biii—La2Aiii111.5 (10)O5Bii—La2B—O2A—Ga1Axiv38.0 (15)
O5A—La1A—O4Biii—La2Biii130.0 (12)O5Bii—La2B—O2A—La1Bxv165.7 (8)
O1Ai—La1A—O4Biii—Ga1A68.2 (12)O5Bii—La2B—O2A—La1Aiv64.2 (9)
O2Aiii—La1A—O4Biii—Ga1A137.8 (12)O2A—La2B—O4B—La2A118.1 (9)
O2Biii—La1A—O4Biii—Ga1A108.8 (11)O2A—La2B—O4B—La1Aiv2.0 (9)
O3Aiv—La1A—O4Biii—Ga1A168.9 (10)O2A—La2B—O4B—Ga1Aiv122.2 (15)
O1B—La1A—O3Aiv—La2A63.0 (11)O4Aviii—La2B—O4B—La2A169.1 (9)
O1B—La1A—O3Aiv—Ga1Aiv171.3 (9)O4Aviii—La2B—O4B—La1Aiv74.8 (10)
O1B—La1A—O3Aiv—Ga1Biv38.1 (11)O4Aviii—La2B—O4B—Ga1Aiv49.4 (15)
O1Ai—La1A—O3Aiv—La2A65.5 (11)O1Aix—La2B—O4B—La2A83.8 (10)
O1Bii—La1A—O3Aiv—La2A1.8 (10)O1Aix—La2B—O4B—La1Aiv160.1 (10)
O2Aiii—La1A—O3Aiv—La2A119.1 (10)O1Aix—La2B—O4B—Ga1Aiv35.9 (16)
O2Biii—La1A—O3Aiv—La2A111.8 (11)O5Bii—La2B—O4B—La2A2.0 (7)
O4Biii—La1A—O3Aiv—La2A179.7 (9)O5Bii—La2B—O4B—La1Aiv114.1 (10)
O5B—La1B—O1B—La1A117.6 (10)O5Bii—La2B—O4B—Ga1Aiv121.7 (15)
O5B—La1B—O1B—La1Aii131.8 (10)O2A—La2B—O4Aviii—La2Aviii102.2 (9)
O5B—La1B—O1B—La2Aii13.5 (8)O2A—La2B—O4Aviii—La1Bxv0.7 (9)
O1Av—La1B—O1B—La1A175.6 (8)O2A—La2B—O4Aviii—Ga1Bxv133 (3)
O1Av—La1B—O1B—La1Aii65.0 (10)O4B—La2B—O4Aviii—La2Aviii177.6 (8)
O1Av—La1B—O1B—La2Aii53.4 (12)O4B—La2B—O4Aviii—La1Bxv76.0 (10)
O1Avi—La1B—O1B—La1A102.5 (11)O4B—La2B—O4Aviii—Ga1Bxv58 (3)
O1Avi—La1B—O1B—La1Aii8.1 (8)O2A—La2B—O1Aix—La1Bviii32 (4)
O1Avi—La1B—O1B—La2Aii126.4 (12)O2A—La2B—O1Aix—La1Ax102 (2)
O2Biii—La1B—O1B—La1A1.7 (9)O2A—La2B—O1Aix—La1Bii143 (2)
O2Biii—La1B—O1B—La1Aii108.9 (9)O4B—La2B—O1Aix—La1Bviii41.7 (16)
O2Biii—La1B—O1B—La2Aii132.7 (11)O4B—La2B—O1Aix—La1Ax176.0 (11)
O4Aiii—La1B—O1B—La1A69.1 (11)O4B—La2B—O1Aix—La1Bii69.4 (9)
O4Aiii—La1B—O1B—La1Aii179.7 (8)O2A—La2B—O5Ax—La2Aviii59.2 (9)
O4Aiii—La1B—O1B—La2Aii62.0 (12)O2A—La2B—O5Ax—La1Ax158.6 (7)
O1B—La1B—O5B—Ga1B116.0 (11)O2A—La2B—O5Ax—Ga1Ax105.6 (14)
O1B—La1B—O5B—La2Aii11.9 (8)O2A—La2B—O5Bii—La2A71.1 (9)
O1B—La1B—O5B—La2Bii118.4 (9)O2A—La2B—O5Bii—La1Bii164.6 (6)
O1Av—La1B—O5B—Ga1B123.5 (11)O2A—La2B—O5Bii—Ga1Bii108.0 (13)
O1Av—La1B—O5B—La2Aii108.7 (8)O4B—La2B—O5Bii—La2A2.1 (8)
O1Av—La1B—O5B—La2Bii2.1 (7)O4B—La2B—O5Bii—La1Bii95.6 (7)
O1Avi—La1B—O5B—Ga1B167.9 (11)O4B—La2B—O5Bii—Ga1Bii177.0 (15)
O1Avi—La1B—O5B—La2Aii40.1 (13)O1Aix—La2B—O5Bii—La2A95.9 (9)
O1Avi—La1B—O5B—La2Bii66.5 (12)O5Ax—La2B—O5Bii—La2A169.6 (7)
O2Biii—La1B—O5B—Ga1B50.3 (12)O5A—Ga1A—O3A—Ga1B12 (2)
O2Biii—La1B—O5B—La2Aii77.6 (10)O5A—Ga1A—O3A—La1Aiii142.5 (9)
O2Biii—La1B—O5B—La2Bii175.9 (8)O5A—Ga1A—O3A—La2Aiii110.2 (10)
O4Aiii—La1B—O5B—Ga1B11.2 (9)O2Axi—Ga1A—O3A—Ga1B117 (2)
O4Aiii—La1B—O5B—La2Aii139.0 (10)O2Axi—Ga1A—O3A—La1Aiii14.3 (11)
O4Aiii—La1B—O5B—La2Bii114.5 (9)O2Axi—Ga1A—O3A—La2Aiii121.6 (10)
O2Avii—La1B—O5B—Ga1B54.6 (12)O4Biii—Ga1A—O3A—Ga1B118 (2)
O2Avii—La1B—O5B—La2Aii177.6 (7)O4Biii—Ga1A—O3A—La1Aiii111.2 (10)
O2Avii—La1B—O5B—La2Bii71.0 (9)O4Biii—Ga1A—O3A—La2Aiii3.8 (10)
O1B—La1B—O1Av—La1Axvi177.9 (8)O3A—Ga1A—O5A—La1A89.9 (10)
O1B—La1B—O1Av—La2Bii60.3 (10)O3A—Ga1A—O5A—La2Bx170.4 (12)
O5B—La1B—O1Av—La1Axvi119.5 (9)O3A—Ga1A—O5A—La2Aii8.3 (17)
O5B—La1B—O1Av—La2Bii2.4 (8)O2Axi—Ga1A—O5A—La1A155.6 (10)
O1B—La1B—O1Avi—La2Bxvi129.4 (17)O2Axi—Ga1A—O5A—La2Bx55.8 (18)
O1B—La1B—O1Avi—La1Aii8.7 (9)O2Axi—Ga1A—O5A—La2Aii106.3 (15)
O5B—La1B—O1Avi—La2Bxvi179.7 (11)O4Biii—Ga1A—O5A—La1A12.0 (11)
O5B—La1B—O1Avi—La1Aii41.6 (15)O4Biii—Ga1A—O5A—La2Bx87.8 (14)
O1B—La1B—O2Biii—La1A1.3 (7)O4Biii—Ga1A—O5A—La2Aii110.1 (13)
O1B—La1B—O2Biii—La2Aiii104.1 (10)O3A—Ga1A—O2Axi—La2Bxi92.7 (13)
O1B—La1B—O2Biii—Ga1Biv100.3 (17)O3A—Ga1A—O2Axi—La1Aiii12.4 (10)
O5B—La1B—O2Biii—La1A61.1 (9)O5A—Ga1A—O2Axi—La2Bxi31.7 (18)
O5B—La1B—O2Biii—La2Aiii41.6 (12)O5A—Ga1A—O2Axi—La1Aiii136.9 (10)
O5B—La1B—O2Biii—Ga1Biv162.8 (14)O3A—Ga1A—O4Biii—La1A103.7 (10)
O1Avi—La1B—O2Biii—La1A74.1 (8)O3A—Ga1A—O4Biii—La2Aiii3.8 (10)
O4Aiii—La1B—O2Biii—La1A113.6 (8)O3A—Ga1A—O4Biii—La2Biii127.7 (14)
O2Avii—La1B—O2Biii—La1A174.6 (7)O5A—Ga1A—O4Biii—La1A14.0 (12)
O1B—La1B—O4Aiii—Ga1B42.0 (13)O5A—Ga1A—O4Biii—La2Aiii121.4 (10)
O1B—La1B—O4Aiii—La2Aiii60.5 (11)O5A—Ga1A—O4Biii—La2Biii114.7 (15)
O1B—La1B—O4Aiii—La2Bvii164.0 (9)O2Axi—Ga1A—O4Biii—La1A155.8 (10)
O5B—La1B—O4Aiii—Ga1B11.4 (9)O5B—Ga1B—O3A—Ga1A9 (2)
O5B—La1B—O4Aiii—La2Aiii113.8 (10)O5B—Ga1B—O3A—La1Aiii141.8 (9)
O5B—La1B—O4Aiii—La2Bvii142.6 (12)O5B—Ga1B—O3A—La2Aiii114.2 (10)
O1Av—La1B—O4Aiii—Ga1B79.7 (11)O2Bxi—Ga1B—O3A—Ga1A118 (2)
O2Biii—La1B—O4Aiii—Ga1B111.9 (12)O2Bxi—Ga1B—O3A—La1Aiii15.2 (12)
O2Avii—La1B—O4Aiii—Ga1B153.3 (13)O2Bxi—Ga1B—O3A—La2Aiii119.1 (12)
O5B—La1B—O2Avii—La1Axvi63.5 (9)O4Aiii—Ga1B—O3A—Ga1A120 (2)
O5B—La1B—O2Avii—La2Bvii40.1 (12)O4Aiii—Ga1B—O3A—La1Aiii107.3 (11)
O4A—La2A—O2B—Ga1Bxiv144.3 (17)O4Aiii—Ga1B—O3A—La2Aiii3.3 (12)
O4A—La2A—O2B—La1Aiv112.7 (10)O3A—Ga1B—O5B—La1B89.2 (9)
O4A—La2A—O2B—La1Biv10.1 (10)O3A—Ga1B—O5B—La2Aii3.5 (17)
O4B—La2A—O2B—Ga1Bxiv96.5 (15)O3A—Ga1B—O5B—La2Bii178.7 (11)
O4B—La2A—O2B—La1Aiv6.5 (8)O2Bxi—Ga1B—O5B—La1B157.5 (10)
O4B—La2A—O2B—La1Biv109.1 (11)O2Bxi—Ga1B—O5B—La2Aii109.8 (15)
O5Aii—La2A—O2B—Ga1Bxiv74.7 (16)O2Bxi—Ga1B—O5B—La2Bii68.1 (17)
O5Aii—La2A—O2B—La1Aiv177.7 (8)O4Aiii—Ga1B—O5B—La1B15.0 (11)
O5Aii—La2A—O2B—La1Biv79.7 (11)O4Aiii—Ga1B—O5B—La2Aii107.7 (15)
O5Bii—La2A—O2B—Ga1Bxiv28.8 (17)O4Aiii—Ga1B—O5B—La2Bii74.4 (15)
O5Bii—La2A—O2B—La1Aiv74.2 (10)O3A—Ga1B—O2Bxi—La2Axi91.9 (15)
O5Bii—La2A—O2B—La1Biv176.8 (9)O3A—Ga1B—O2Bxi—La1Aiii13.4 (11)
O3Aiv—La2A—O2B—Ga1Bxiv156.0 (15)O3A—Ga1B—O2Bxi—La1Biii117.7 (15)
O3Aiv—La2A—O2B—La1Aiv53.0 (9)O5B—Ga1B—O2Bxi—La2Axi28 (2)
O3Aiv—La2A—O2B—La1Biv49.7 (11)O5B—Ga1B—O2Bxi—La1Aiii133.7 (11)
O2B—La2A—O4A—La2Bxvi98.0 (10)O5B—Ga1B—O2Bxi—La1Biii122.0 (17)
O2B—La2A—O4A—La1Biv9.6 (9)O3A—Ga1B—O4Aiii—La1B97.2 (10)
O2B—La2A—O4A—Ga1Biv111.9 (14)O3A—Ga1B—O4Aiii—La2Aiii3.2 (11)
O4B—La2A—O4A—La2Bxvi169.3 (7)O3A—Ga1B—O4Aiii—La2Bvii128 (3)
O4B—La2A—O4A—La1Biv61.7 (10)O5B—Ga1B—O4Aiii—La1B17.5 (13)
O4B—La2A—O4A—Ga1Biv40.6 (14)O5B—Ga1B—O4Aiii—La2Aiii117.9 (12)
O1Bii—La2A—O4A—La2Bxvi84.4 (9)O5B—Ga1B—O4Aiii—La2Bvii117 (3)
O1Bii—La2A—O4A—La1Biv168.0 (9)O2Bxi—Ga1B—O4Aiii—La1B159.7 (11)
O1Bii—La2A—O4A—Ga1Biv65.7 (13)
Symmetry codes: (i) x, y+1, z; (ii) x+1, y+1, z+1; (iii) x, y+3/2, z1/2; (iv) x, y+3/2, z+1/2; (v) x+1, y+1, z; (vi) x+1, y, z+1; (vii) x+1, y+3/2, z1/2; (viii) x1, y, z; (ix) x, y, z+1; (x) x, y+1, z+1; (xi) x, y, z1; (xii) x, y1, z; (xiii) x1, y1, z; (xiv) x, y, z+1; (xv) x1, y+3/2, z+1/2; (xvi) x+1, y, z.

Experimental details

(1)(2)(3)(4)
Crystal data
Chemical formulaLa2O5TiGa0.2La2O4.9Ti0.8Ga0.5La2O4.75Ti0.5Ga0.7La2O4.65Ti0.3
Mr405.69408.47412.62415.39
Crystal system, space groupOrthorhombic, PnamOrthorhombic, PnamOrthorhombic, PnamOrthorhombic, Pnam
Temperature (K)293293293293
a, b, c (Å)11.00713 (11), 11.40018 (11), 3.94377 (4)11.04452 (11), 11.28420 (11), 3.96519 (4)11.09937 (19), 11.14255 (17), 3.98321 (5)11.13674 (16), 11.06383 (15), 3.98631 (5)
α, β, γ (°)90, 90, 9090, 90, 9090, 90, 9090, 90, 90
V3)494.88 (1)494.18 (1)492.63 (1)491.17 (1)
Z4444
Radiation typeCu Kα, λ = 1.5418 ÅCu Kα, λ = 1.5418 ÅCu Kα, λ = 1.5418 ÅCu Kα, λ = 1.5418 Å
Specimen shape, size (mm)Irregular, ? × ? × ?Irregular, ? × ? × ?Irregular, ? × ? × ?Irregular, ? × ? × ?
Data collection
DiffractometerBruker AXS D4 Endeavor
diffractometer
Bruker AXS D4 Endeavor
diffractometer
Bruker AXS D4 Endeavor
diffractometer
Bruker AXS D4 Endeavor
diffractometer
Specimen mountingFlat plateFlat plateFlat plateFlat plate
Data collection modeReflectionReflectionReflectionReflection
Scan methodStepStepStepStep
2θ values (°)2θmin = 10 2θmax = 140 2θstep = 0.0202θmin = 10 2θmax = 140 2θstep = 0.0202θmin = 10 2θmax = 140 2θstep = 0.0202θmin = 10 2θmax = 140 2θstep = 0.020
Refinement
R factors and goodness of fitRp = 0.090, Rwp = 0.120, Rexp = 0.068, χ2 = 3.112Rp = 0.093, Rwp = 0.122, Rexp = 0.071, χ2 = 2.955Rp = 0.088, Rwp = 0.115, Rexp = 0.070, χ2 = 2.713Rp = 0.082, Rwp = 0.105, Rexp = 0.056, χ2 = 3.467
No. of data points6501650165016501
No. of parameters33333333
No. of restraints????


(5)(6)(7)
Crystal data
Chemical formulaGa0.9La2O4.55Ti0.1Ga1.90La4O9.05Ti0.10Ga2La4O9
Mr418.16837.68839.08
Crystal system, space groupOrthorhombic, PnamMonoclinic, P21/cMonoclinic, P21/c
Temperature (K)293293293
a, b, c (Å)11.17394 (16), 10.99713 (14), 3.98992 (5)7.98014 (9), 11.19613 (14), 11.64676 (14)7.98082 (7), 11.20250 (11), 11.62961 (11)
α, β, γ (°)90, 90, 9090, 109.5310 (9), 9090, 109.4874 (7), 90
V3)490.29 (1)980.72 (2)980.19 (2)
Z444
Radiation typeCu Kα, λ = 1.5418 ÅCu Kα, λ = 1.5418 ÅCu Kα, λ = 1.5418 Å
Specimen shape, size (mm)Irregular, ? × ? × ?Irregular, ? × ? × ?Irregular, ? × ? × ?
Data collection
DiffractometerBruker AXS D4 Endeavor
diffractometer
Bruker AXS D4 Endeavor
diffractometer
Bruker AXS D4 Endeavor
diffractometer
Specimen mountingFlat plateFlat plateFlat plate
Data collection modeReflectionReflectionReflection
Scan methodStepStepStep
2θ values (°)2θmin = 10 2θmax = 140 2θstep = 0.0202θmin = 10 2θmax = 140 2θstep = 0.0202θmin = 10 2θmax = 140 2θstep = 0.020
Refinement
R factors and goodness of fitRp = 0.084, Rwp = 0.109, Rexp = 0.057, χ2 = 3.709Rp = 0.067, Rwp = 0.090, Rexp = 0.055, χ2 = 2.654Rp = 0.062, Rwp = 0.086, Rexp = 0.060, χ2 = 2.079
No. of data points650165016501
No. of parameters336363
No. of restraints???

Computer programs: Topas Academic v4.1 (Coelho, 2004).

 

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