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Prismatic crystals of the title compound, up to 100 µm long and {001} twinned by metric merohedry, were obtained as a side-product of a hydrothermal run devoted to synthesizing the heterophyllosilicate lamprophyllite. Single-crystal X-ray diffraction data were collected on a Bruker-AXS Smart Apex diffractometer from a crystal with approximate composition (Ba0.80Sr0.20)4Ti6Si4O24·H2O. The structure was solved and refined as a disordered structure in the space group Cmmm [ao = 5.906 (2), bo = 20.618 (8), co = 16.719 (6) Å, R = 0.089 for 682 reflections with Io > 2σ(Io)], and then deciphered by the order–disorder (OD) theory as an ordered structure and refined in the space group P2/c [a = 5.906, b = 16.719, c = 10.724 Å, β = 105.99°, R = 0.083 for 1090 reflections with Io > 2σ(Io)]. The discussion based on the OD theory shows that the refined ordered structure corresponds to one (2M) of two maximum degree of order (MDO) polytypes. The structure of the second MDO polytype (4O) was modelled but not refined because it does not substantially occur in our sample. In the structure, infinite (001) ribbons of Ti octahedra elongated along the [100] direction are connected by (SiO3)4 four-membered rings, thus realising a new type of heteropolyhedral framework. The ribbons are three-octahedra wide and one-octahedron thick; they are formed by linking, via edge-sharing, rutile-type edge-sharing rows of octahedra. This ribbon represents a slice of the octahedral sheet that occurs in perrierite-(Ce), Ce4MgFe2Ti2O8(Si2O7)2. The (Ba,Sr) ions are hosted within two independent [100] narrow channels both delimited by four Ti octahedra and four Si tetrahedra. The disorder of H2O is discussed on the basis of a Raman spectrum.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108768108032631/ck5034sup1.cif
Contains datablocks I, II

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108768108032631/ck5034Isup2.hkl
Contains datablock I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108768108032631/ck5034IIsup3.hkl
Contains datablock II

Computing details top

Program(s) used to solve structure: SHELXL97 (Sheldrick, 1990) for (I); SHELXS97 (Sheldrick, 1997) for (II). For both compounds, program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ATOMS 6.2.

(I) Tetrabarium Hexatitanium Tetrasilicate Monohydrate top
Crystal data top
(Ba·Sr)4Ti6Si4O24(H2O)Dx = 4.408 Mg m3
Mr = 1351.14Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, CmmmCell parameters from 1411 reflections
a = 5.906 (2) Åθ = 1.2–27.9°
b = 20.618 (8) ŵ = 10.18 mm1
c = 16.719 (6) ÅT = 293 K
V = 2035.9 (13) Å3Prismatic, opaque grey
Z = 40.13 × 0.01 × 0.01 mm
F(000) = 2456
Data collection top
Bruker-AXS Smart Apex
diffractometer
1411 independent reflections
Radiation source: fine-focus sealed tube692 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.339
phi/ω scansθmax = 27.9°, θmin = 1.2°
Absorption correction: multi-scan
Bruker SADABS
h = 77
Tmin = 0.363, Tmax = 0.905k = 2626
10044 measured reflectionsl = 2121
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.089H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.239 w = 1/[σ2(Fo2) + (0.0966P)2]
where P = (Fo2 + 2Fc2)/3
S = 1.04(Δ/σ)max < 0.001
1411 reflectionsΔρmax = 3.70 e Å3
96 parametersΔρmin = 4.12 e Å3
0 restraintsExtinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0015 (2)
Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Ba10.00000.09937 (9)0.12451 (13)0.0129 (6)
Ba20.2426 (4)0.15065 (17)0.3758 (2)0.0241 (8)0.50
Ti10.25000.25000.00000.008 (2)
Ti20.50000.00000.50000.010 (3)
Ti30.00000.00000.50000.013 (3)
Ti40.00000.2601 (3)0.1978 (4)0.0138 (15)
Ti50.7571 (12)0.00000.3017 (5)0.033 (3)
Si10.252 (3)0.1380 (9)0.50000.014 (4)*0.50
Si20.25000.25000.3676 (11)0.014 (4)*0.50
Si30.50000.00000.1336 (6)0.002 (2)*
Si40.50000.1113 (5)0.00000.006 (2)*
O10.50000.0638 (11)0.0769 (13)0.011 (5)*
O20.00000.2444 (10)0.0780 (16)0.008 (6)*
O30.50000.0633 (15)0.3053 (16)0.019 (6)
O40.00000.2525 (10)0.317 (2)0.018 (8)*
O51.00000.0622 (11)0.2971 (14)0.009 (5)*
O60.00000.099 (2)0.50000.018 (8)
O70.50000.0969 (19)0.50000.015 (7)
O80.753 (3)0.00000.4225 (17)0.015 (8)
O90.250 (2)0.1875 (11)0.1991 (13)0.013 (5)*
O100.734 (3)0.00000.1803 (16)0.006 (6)*
O110.273 (4)0.1537 (14)0.00000.008 (5)*
O120.246 (5)0.1849 (16)0.424 (2)0.015 (7)*0.50
OW10.00000.00000.00000.053 (19)*
OW20.25000.25000.50000.014 (13)*0.50
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ba10.0090 (9)0.0156 (10)0.0141 (9)0.0000.0000.0006 (8)
Ba20.0121 (15)0.0314 (17)0.0288 (15)0.0009 (10)0.0022 (12)0.0035 (15)
Ti10.005 (7)0.008 (5)0.010 (5)0.001 (2)0.0000.000
Ti20.005 (7)0.019 (7)0.006 (5)0.0000.0000.000
Ti30.009 (8)0.018 (7)0.011 (6)0.0000.0000.000
Ti40.017 (4)0.017 (3)0.008 (3)0.0000.0000.000 (2)
Ti50.024 (5)0.070 (7)0.004 (3)0.0000.001 (2)0.000
O30.005 (10)0.035 (14)0.016 (11)0.0000.0000.004 (9)
O60.015 (16)0.023 (16)0.016 (15)0.0000.0000.000
O70.009 (15)0.020 (15)0.016 (14)0.0000.0000.000
O80.008 (12)0.029 (14)0.008 (10)0.0000.004 (7)0.000
Geometric parameters (Å, º) top
Ba1—O9i2.65 (2)Si1—O12vii1.60 (3)
Ba1—O9ii2.654 (19)Si1—O71.69 (2)
Ba1—O10iii2.744 (14)Si1—O61.69 (3)
Ba1—O10iv2.744 (14)Si1—Ba2xvii2.094 (4)
Ba1—O11v2.860 (16)Si1—Ba2vii2.094 (4)
Ba1—O112.860 (16)Si1—OW2vii2.310 (18)
Ba1—OW12.921 (2)Si1—Ba2xix3.594 (13)
Ba1—O5iv2.99 (2)Si1—Ba2ix3.594 (13)
Ba1—O2i3.09 (2)Si1—Ba2iv3.645 (14)
Ba1—O1iii3.145 (8)Si1—Ba2x3.645 (14)
Ba1—O13.145 (8)Si2—O12xiii1.64 (3)
Ba1—Ti4i3.534 (7)Si2—O12ii1.64 (3)
Ba2—O121.07 (3)Si2—O41.706 (19)
Ba2—Si2vi2.053 (4)Si2—O4xxii1.706 (19)
Ba2—Si1vii2.094 (4)Si2—Ba2xiii2.053 (4)
Ba2—O32.63 (2)Si2—Ba2ii2.053 (4)
Ba2—O5iv2.67 (2)Si2—OW2xiii2.214 (19)
Ba2—O4viii2.70 (2)Si2—Ba2xxiv3.561 (3)
Ba2—O4i2.73 (2)Si2—Ba2i3.561 (3)
Ba2—O6ix2.738 (16)Si2—Ba2viii3.632 (3)
Ba2—O7x2.802 (16)Si2—Ba2xxv3.633 (3)
Ba2—Ba2v2.865 (5)Si3—O101.59 (2)
Ba2—OW22.917 (4)Si3—O10iv1.59 (2)
Ba2—Ba2xi3.041 (5)Si3—O11.62 (2)
Ti1—O2viii1.973 (18)Si3—O1iv1.62 (2)
Ti1—O21.973 (18)Si3—Ba1xv3.5973 (15)
Ti1—O2xii1.973 (18)Si3—Ba1xix3.5973 (15)
Ti1—O2i1.973 (18)Si3—Ba1iv3.5973 (15)
Ti1—O11viii1.99 (3)Si4—O11xi1.60 (3)
Ti1—O111.99 (3)Si4—O111.60 (3)
Ti1—Ti1vi2.9530 (10)Si4—O1i1.62 (2)
Ti1—Ti1xiii2.9530 (10)Si4—O11.62 (2)
Ti1—Ba1xii4.020 (2)Si4—Ba1i3.6214 (17)
Ti1—Ba1viii4.020 (2)Si4—Ba1xv3.6214 (17)
Ti1—Ba1i4.020 (2)Si4—Ba1xxvi3.6214 (17)
Ti2—O8xiv1.98 (2)O1—Ba1xv3.145 (8)
Ti2—O8iv1.98 (2)O2—Ti1xiii1.973 (18)
Ti2—O8x1.98 (2)O2—Ba1i3.09 (2)
Ti2—O81.98 (2)O3—Ti5iv2.00 (2)
Ti2—O7x2.00 (4)O3—Ba2xi2.63 (2)
Ti2—O72.00 (4)O4—Si2v1.706 (19)
Ti2—Ti32.9530 (10)O4—Ba2viii2.70 (2)
Ti2—Ti3xv2.9530 (10)O4—Ba2xiii2.70 (2)
Ti2—Ba2xvi4.034 (4)O4—Ba2ii2.73 (2)
Ti2—Ba2xi4.034 (4)O4—Ba2i2.73 (2)
Ti2—Ba2xvii4.034 (4)O5—Ti5xxiii1.925 (16)
Ti2—Ba2xiv4.034 (3)O5—Ba2iv2.67 (2)
Ti3—O8x1.95 (2)O5—Ba2xxvii2.67 (2)
Ti3—O8iii1.95 (2)O5—Ba1iv2.99 (2)
Ti3—O8iv1.95 (2)O6—Si1v1.69 (3)
Ti3—O8xviii1.95 (2)O6—Ba2xix2.738 (16)
Ti3—O6ix2.04 (4)O6—Ba2xvii2.738 (16)
Ti3—O62.04 (4)O6—Ba2vii2.738 (16)
Ti3—Ti2iii2.9530 (10)O6—Ba2ix2.738 (16)
Ti3—Ba2xiv4.002 (4)O7—Si1xi1.69 (2)
Ti3—Ba2v4.002 (3)O7—Ba2xvii2.802 (16)
Ti3—Ba2xix4.002 (4)O7—Ba2iv2.802 (16)
Ti3—Ba2xx4.002 (3)O7—Ba2x2.802 (16)
Ti4—O9xii1.828 (18)O7—Ba2vii2.802 (16)
Ti4—O9xxi1.828 (18)O8—Ti3xv1.95 (2)
Ti4—O41.99 (3)O8—Ba2xi3.203 (8)
Ti4—O22.03 (3)O8—Ba2iv3.203 (8)
Ti4—O9v2.103 (19)O9—Ti4xii1.828 (18)
Ti4—O92.103 (19)O9—Ba1i2.654 (19)
Ti4—Ti4xxii2.982 (2)O9—Ba2i3.05 (2)
Ti4—Ti4xii2.982 (2)O10—Ba1xv2.744 (14)
Ti4—Ba1i3.534 (7)O10—Ba1iv2.744 (14)
Ti4—Ba2xiii3.814 (7)O11—Ba1i2.860 (16)
Ti4—Ba2viii3.814 (7)O12—Si1vii1.60 (3)
Ti4—Ba2ii4.000 (7)O12—Si2vi1.64 (3)
Ti5—O5xxiii1.925 (16)O12—Ba2v3.08 (3)
Ti5—O51.925 (16)O12—Ba2xi3.20 (3)
Ti5—O32.00 (2)OW1—Ba1i2.921 (2)
Ti5—O3iv2.00 (2)OW1—Ba1xxviii2.921 (2)
Ti5—O82.02 (3)OW1—Ba1xix2.921 (2)
Ti5—O102.03 (3)OW2—Si2vi2.214 (19)
Ti5—Ti5xxiii2.869 (14)OW2—Si2xxix2.214 (19)
Ti5—Ti5iv3.037 (14)OW2—Si1xxx2.310 (18)
Ti5—Ba2xi3.344 (5)OW2—Si1vii2.310 (18)
Ti5—Ba2iv3.344 (5)OW2—Ba2xii2.917 (4)
Ti5—Ba1xv3.877 (7)OW2—Ba2xxxi2.917 (4)
Ti5—Ba1iv3.877 (7)OW2—Ba2xiv2.917 (4)
Si1—O12xvii1.60 (3)
O9i—Ba1—O9ii67.6 (7)O5xxiii—Ti5—O583.5 (11)
O9i—Ba1—O10iii132.1 (7)O5xxiii—Ti5—O397.6 (10)
O9ii—Ba1—O10iii91.9 (6)O5—Ti5—O3178.8 (9)
O9i—Ba1—O10iv91.9 (6)O5xxiii—Ti5—O3iv178.8 (9)
O9ii—Ba1—O10iv132.1 (7)O5—Ti5—O3iv97.6 (10)
O10iii—Ba1—O10iv69.8 (7)O3—Ti5—O3iv81.3 (13)
O9i—Ba1—O11v112.8 (7)O5xxiii—Ti5—O892.8 (9)
O9ii—Ba1—O11v76.1 (6)O5—Ti5—O892.8 (9)
O10iii—Ba1—O11v102.6 (7)O3—Ti5—O887.8 (9)
O10iv—Ba1—O11v149.5 (7)O3iv—Ti5—O887.8 (9)
O9i—Ba1—O1176.1 (6)O5xxiii—Ti5—O1090.6 (8)
O9ii—Ba1—O11112.8 (7)O5—Ti5—O1090.6 (8)
O10iii—Ba1—O11149.5 (7)O3—Ti5—O1088.8 (9)
O10iv—Ba1—O11102.6 (7)O3iv—Ti5—O1088.8 (10)
O11v—Ba1—O1168.5 (8)O8—Ti5—O10175.5 (9)
O9i—Ba1—OW1144.6 (4)O5xxiii—Ti5—Ti5xxiii41.8 (5)
O9ii—Ba1—OW1144.6 (4)O5—Ti5—Ti5xxiii41.8 (5)
O10iii—Ba1—OW173.6 (5)O3—Ti5—Ti5xxiii139.3 (7)
O10iv—Ba1—OW173.6 (5)O3iv—Ti5—Ti5xxiii139.3 (7)
O11v—Ba1—OW175.9 (5)O8—Ti5—Ti5xxiii90.7 (6)
O11—Ba1—OW175.9 (5)O10—Ti5—Ti5xxiii93.8 (6)
O9i—Ba1—O5iv73.9 (6)O5xxiii—Ti5—Ti5iv138.2 (5)
O9ii—Ba1—O5iv73.9 (6)O5—Ti5—Ti5iv138.2 (5)
O10iii—Ba1—O5iv58.7 (7)O3—Ti5—Ti5iv40.7 (7)
O10iv—Ba1—O5iv58.7 (7)O3iv—Ti5—Ti5iv40.7 (7)
O11v—Ba1—O5iv143.5 (4)O8—Ti5—Ti5iv89.3 (6)
O11—Ba1—O5iv143.5 (4)O10—Ti5—Ti5iv86.2 (6)
OW1—Ba1—O5iv120.6 (4)Ti5xxiii—Ti5—Ti5iv180.000 (1)
O9i—Ba1—O2i57.0 (6)O5xxiii—Ti5—Ba2xi52.8 (6)
O9ii—Ba1—O2i57.0 (6)O5—Ti5—Ba2xi129.3 (6)
O10iii—Ba1—O2i143.9 (3)O3—Ti5—Ba2xi52.0 (7)
O10iv—Ba1—O2i143.9 (3)O3iv—Ti5—Ba2xi126.5 (7)
O11v—Ba1—O2i55.8 (7)O8—Ti5—Ba2xi68.26 (14)
O11—Ba1—O2i55.8 (7)O10—Ti5—Ba2xi111.69 (14)
OW1—Ba1—O2i120.0 (5)Ti5xxiii—Ti5—Ba2xi89.97 (13)
O5iv—Ba1—O2i119.5 (7)Ti5iv—Ti5—Ba2xi90.03 (12)
O9i—Ba1—O1iii143.2 (5)O5xxiii—Ti5—Ba2iv129.3 (6)
O9ii—Ba1—O1iii75.9 (5)O5—Ti5—Ba2iv52.8 (6)
O10iii—Ba1—O1iii51.3 (6)O3—Ti5—Ba2iv126.5 (7)
O10iv—Ba1—O1iii116.7 (5)O3iv—Ti5—Ba2iv52.0 (7)
O11v—Ba1—O1iii51.6 (6)O8—Ti5—Ba2iv68.26 (14)
O11—Ba1—O1iii115.8 (5)O10—Ti5—Ba2iv111.69 (14)
OW1—Ba1—O1iii69.9 (4)Ti5xxiii—Ti5—Ba2iv89.97 (13)
O5iv—Ba1—O1iii100.6 (4)Ti5iv—Ti5—Ba2iv90.03 (13)
O2i—Ba1—O1iii99.3 (4)Ba2xi—Ti5—Ba2iv136.5 (3)
O9i—Ba1—O175.9 (5)O5xxiii—Ti5—Ba1xv48.8 (7)
O9ii—Ba1—O1143.2 (5)O5—Ti5—Ba1xv92.6 (7)
O10iii—Ba1—O1116.7 (5)O3—Ti5—Ba1xv87.7 (7)
O10iv—Ba1—O151.3 (6)O3iv—Ti5—Ba1xv130.4 (8)
O11v—Ba1—O1115.8 (5)O8—Ti5—Ba1xv140.2 (4)
O11—Ba1—O151.6 (6)O10—Ti5—Ba1xv42.5 (4)
OW1—Ba1—O169.9 (4)Ti5xxiii—Ti5—Ba1xv68.28 (10)
O5iv—Ba1—O1100.6 (4)Ti5iv—Ti5—Ba1xv111.72 (10)
O2i—Ba1—O199.3 (4)Ba2xi—Ti5—Ba1xv77.99 (9)
O1iii—Ba1—O1139.8 (8)Ba2iv—Ti5—Ba1xv140.7 (2)
O9i—Ba1—Ti4i36.3 (4)O5xxiii—Ti5—Ba1iv92.6 (7)
O9ii—Ba1—Ti4i36.3 (4)O5—Ti5—Ba1iv48.8 (7)
O10iii—Ba1—Ti4i125.6 (4)O3—Ti5—Ba1iv130.4 (8)
O10iv—Ba1—Ti4i125.6 (4)O3iv—Ti5—Ba1iv87.7 (7)
O11v—Ba1—Ti4i83.4 (5)O8—Ti5—Ba1iv140.2 (4)
O11—Ba1—Ti4i83.4 (5)O10—Ti5—Ba1iv42.5 (4)
OW1—Ba1—Ti4i154.84 (13)Ti5xxiii—Ti5—Ba1iv68.28 (10)
O5iv—Ba1—Ti4i84.6 (5)Ti5iv—Ti5—Ba1iv111.72 (10)
O2i—Ba1—Ti4i34.9 (5)Ba2xi—Ti5—Ba1iv140.7 (2)
O1iii—Ba1—Ti4i107.8 (4)Ba2iv—Ti5—Ba1iv77.99 (9)
O1—Ba1—Ti4i107.8 (4)Ba1xv—Ti5—Ba1iv63.80 (14)
O12—Ba2—Si2vi52.5 (19)O12xvii—Si1—O12vii105 (3)
O12—Ba2—Si1vii48.5 (19)O12xvii—Si1—O7108.8 (14)
Si2vi—Ba2—Si1vii101.0 (7)O12vii—Si1—O7108.8 (14)
O12—Ba2—O3140.8 (16)O12xvii—Si1—O6105.6 (14)
Si2vi—Ba2—O3129.8 (6)O12vii—Si1—O6105.6 (14)
Si1vii—Ba2—O3110.0 (7)O7—Si1—O6122 (2)
O12—Ba2—O5iv146.4 (16)O12xvii—Si1—Ba2xvii30.1 (12)
Si2vi—Ba2—O5iv131.4 (6)O12vii—Si1—Ba2xvii135.5 (16)
Si1vii—Ba2—O5iv114.7 (7)O7—Si1—Ba2xvii94.9 (5)
O3—Ba2—O5iv67.8 (6)O6—Si1—Ba2xvii92.0 (5)
O12—Ba2—O4viii77.0 (18)O12xvii—Si1—Ba2vii135.5 (16)
Si2vi—Ba2—O4viii39.2 (5)O12vii—Si1—Ba2vii30.1 (12)
Si1vii—Ba2—O4viii116.2 (8)O7—Si1—Ba2vii94.9 (5)
O3—Ba2—O4viii91.0 (7)O6—Si1—Ba2vii92.0 (5)
O5iv—Ba2—O4viii128.9 (8)Ba2xvii—Si1—Ba2vii165.3 (10)
O12—Ba2—O4i77.0 (18)O12xvii—Si1—OW2vii52.7 (13)
Si2vi—Ba2—O4i38.7 (5)O12vii—Si1—OW2vii52.7 (13)
Si1vii—Ba2—O4i118.0 (8)O7—Si1—OW2vii120.3 (15)
O3—Ba2—O4i131.8 (8)O6—Si1—OW2vii118.0 (15)
O5iv—Ba2—O4i93.7 (7)Ba2xvii—Si1—OW2vii82.8 (5)
O4viii—Ba2—O4i66.0 (3)Ba2vii—Si1—OW2vii82.8 (5)
O12—Ba2—O6ix72.4 (19)O12xvii—Si1—Ba2xix58.6 (11)
Si2vi—Ba2—O6ix116.7 (9)O12vii—Si1—Ba2xix113.5 (13)
Si1vii—Ba2—O6ix38.1 (5)O7—Si1—Ba2xix137.8 (8)
O3—Ba2—O6ix112.1 (10)O6—Si1—Ba2xix47.1 (8)
O5iv—Ba2—O6ix80.1 (7)Ba2xvii—Si1—Ba2xix52.8 (3)
O4viii—Ba2—O6ix149.4 (9)Ba2vii—Si1—Ba2xix122.8 (6)
O4i—Ba2—O6ix107.4 (8)OW2vii—Si1—Ba2xix85.6 (4)
O12—Ba2—O7x72.1 (18)O12xvii—Si1—Ba2ix113.5 (13)
Si2vi—Ba2—O7x115.6 (8)O12vii—Si1—Ba2ix58.6 (11)
Si1vii—Ba2—O7x37.0 (5)O7—Si1—Ba2ix137.8 (8)
O3—Ba2—O7x75.4 (7)O6—Si1—Ba2ix47.1 (8)
O5iv—Ba2—O7x112.8 (9)Ba2xvii—Si1—Ba2ix122.8 (6)
O4viii—Ba2—O7x105.0 (7)Ba2vii—Si1—Ba2ix52.8 (3)
O4i—Ba2—O7x149.1 (9)OW2vii—Si1—Ba2ix85.6 (4)
O6ix—Ba2—O7x64.4 (4)Ba2xix—Si1—Ba2ix70.6 (3)
O12—Ba2—Ba2v91.2 (16)O12xvii—Si1—Ba2iv61.4 (11)
Si2vi—Ba2—Ba2v91.22 (7)O12vii—Si1—Ba2iv115.3 (13)
Si1vii—Ba2—Ba2v91.5 (5)O7—Si1—Ba2iv47.7 (8)
O3—Ba2—Ba2v125.2 (4)O6—Si1—Ba2iv139.0 (8)
O5iv—Ba2—Ba2v57.5 (3)Ba2xvii—Si1—Ba2iv56.5 (3)
O4viii—Ba2—Ba2v124.3 (3)Ba2vii—Si1—Ba2iv125.3 (6)
O4i—Ba2—Ba2v58.3 (3)OW2vii—Si1—Ba2iv86.1 (4)
O6ix—Ba2—Ba2v58.5 (2)Ba2xix—Si1—Ba2iv109.33 (11)
O7x—Ba2—Ba2v122.9 (2)Ba2ix—Si1—Ba2iv171.7 (6)
O12—Ba2—OW23.3 (18)O12xvii—Si1—Ba2x115.3 (13)
Si2vi—Ba2—OW249.2 (5)O12vii—Si1—Ba2x61.4 (11)
Si1vii—Ba2—OW251.8 (5)O7—Si1—Ba2x47.7 (8)
O3—Ba2—OW2142.1 (4)O6—Si1—Ba2x139.0 (8)
O5iv—Ba2—OW2147.1 (3)Ba2xvii—Si1—Ba2x125.3 (6)
O4viii—Ba2—OW274.5 (6)Ba2vii—Si1—Ba2x56.5 (3)
O4i—Ba2—OW274.1 (6)OW2vii—Si1—Ba2x86.1 (4)
O6ix—Ba2—OW275.0 (7)Ba2xix—Si1—Ba2x171.7 (6)
O7x—Ba2—OW275.0 (7)Ba2ix—Si1—Ba2x109.33 (11)
Ba2v—Ba2—OW290.86 (5)Ba2iv—Si1—Ba2x69.5 (3)
O12—Ba2—Ba2xi88.8 (16)O12xiii—Si2—O12ii110 (3)
Si2vi—Ba2—Ba2xi88.78 (7)O12xiii—Si2—O4105.9 (13)
Si1vii—Ba2—Ba2xi88.5 (5)O12ii—Si2—O4107.5 (13)
O3—Ba2—Ba2xi54.8 (4)O12xiii—Si2—O4xxii107.5 (13)
O5iv—Ba2—Ba2xi122.5 (3)O12ii—Si2—O4xxii105.9 (13)
O4viii—Ba2—Ba2xi55.7 (3)O4—Si2—O4xxii120 (2)
O4i—Ba2—Ba2xi121.7 (3)O12xiii—Si2—Ba2xiii31.2 (12)
O6ix—Ba2—Ba2xi121.5 (2)O12ii—Si2—Ba2xiii141.1 (16)
O7x—Ba2—Ba2xi57.1 (2)O4—Si2—Ba2xiii91.2 (7)
Ba2v—Ba2—Ba2xi180.0 (3)O4xxii—Si2—Ba2xiii92.6 (7)
OW2—Ba2—Ba2xi89.14 (5)O12xiii—Si2—Ba2ii141.1 (16)
O2viii—Ti1—O2180.000 (1)O12ii—Si2—Ba2ii31.2 (12)
O2viii—Ti1—O2xii82.7 (12)O4—Si2—Ba2ii92.6 (7)
O2—Ti1—O2xii97.3 (12)O4xxii—Si2—Ba2ii91.2 (7)
O2viii—Ti1—O2i97.3 (12)Ba2xiii—Si2—Ba2ii172.4 (11)
O2—Ti1—O2i82.7 (12)O12xiii—Si2—OW2xiii54.9 (13)
O2xii—Ti1—O2i180.000 (1)O12ii—Si2—OW2xiii54.9 (13)
O2viii—Ti1—O11viii89.5 (7)O4—Si2—OW2xiii120.0 (11)
O2—Ti1—O11viii90.5 (7)O4xxii—Si2—OW2xiii120.0 (11)
O2xii—Ti1—O11viii89.5 (7)Ba2xiii—Si2—OW2xiii86.2 (5)
O2i—Ti1—O11viii90.5 (7)Ba2ii—Si2—OW2xiii86.2 (5)
O2viii—Ti1—O1190.5 (7)O12xiii—Si2—Ba2xxiv59.7 (10)
O2—Ti1—O1189.5 (7)O12ii—Si2—Ba2xxiv117.4 (11)
O2xii—Ti1—O1190.5 (7)O4—Si2—Ba2xxiv135.2 (9)
O2i—Ti1—O1189.5 (7)O4xxii—Si2—Ba2xxiv47.9 (8)
O11viii—Ti1—O11180.000 (1)Ba2xiii—Si2—Ba2xxiv53.57 (10)
O2viii—Ti1—Ti1vi41.6 (6)Ba2ii—Si2—Ba2xxiv126.07 (13)
O2—Ti1—Ti1vi138.4 (6)OW2xiii—Si2—Ba2xxiv87.8 (3)
O2xii—Ti1—Ti1vi41.6 (6)O12xiii—Si2—Ba2i117.4 (11)
O2i—Ti1—Ti1vi138.4 (6)O12ii—Si2—Ba2i59.7 (10)
O11viii—Ti1—Ti1vi93.8 (6)O4—Si2—Ba2i47.9 (8)
O11—Ti1—Ti1vi86.2 (6)O4xxii—Si2—Ba2i135.2 (9)
O2viii—Ti1—Ti1xiii138.4 (6)Ba2xiii—Si2—Ba2i126.07 (13)
O2—Ti1—Ti1xiii41.6 (6)Ba2ii—Si2—Ba2i53.57 (10)
O2xii—Ti1—Ti1xiii138.4 (6)OW2xiii—Si2—Ba2i87.8 (3)
O2i—Ti1—Ti1xiii41.6 (6)Ba2xxiv—Si2—Ba2i175.6 (6)
O11viii—Ti1—Ti1xiii86.2 (6)O12xiii—Si2—Ba2viii61.8 (10)
O11—Ti1—Ti1xiii93.8 (6)O12ii—Si2—Ba2viii115.4 (11)
Ti1vi—Ti1—Ti1xiii180.0O4—Si2—Ba2viii44.6 (8)
O2viii—Ti1—Ba1xii48.5 (6)O4xxii—Si2—Ba2viii138.6 (10)
O2—Ti1—Ba1xii131.5 (6)Ba2xiii—Si2—Ba2viii56.81 (11)
O2xii—Ti1—Ba1xii91.3 (6)Ba2ii—Si2—Ba2viii122.85 (13)
O2i—Ti1—Ba1xii88.7 (6)OW2xiii—Si2—Ba2viii87.8 (3)
O11viii—Ti1—Ba1xii41.7 (4)Ba2xxiv—Si2—Ba2viii110.38 (10)
O11—Ti1—Ba1xii138.3 (4)Ba2i—Si2—Ba2viii69.44 (10)
Ti1vi—Ti1—Ba1xii68.451 (14)O12xiii—Si2—Ba2xxv115.4 (11)
Ti1xiii—Ti1—Ba1xii111.549 (14)O12ii—Si2—Ba2xxv61.8 (10)
O2viii—Ti1—Ba1viii91.3 (6)O4—Si2—Ba2xxv138.6 (10)
O2—Ti1—Ba1viii88.7 (6)O4xxii—Si2—Ba2xxv44.6 (8)
O2xii—Ti1—Ba1viii48.5 (6)Ba2xiii—Si2—Ba2xxv122.85 (13)
O2i—Ti1—Ba1viii131.5 (6)Ba2ii—Si2—Ba2xxv56.81 (11)
O11viii—Ti1—Ba1viii41.7 (4)OW2xiii—Si2—Ba2xxv87.8 (3)
O11—Ti1—Ba1viii138.3 (4)Ba2xxiv—Si2—Ba2xxv69.45 (10)
Ti1vi—Ti1—Ba1viii68.451 (14)Ba2i—Si2—Ba2xxv110.38 (10)
Ti1xiii—Ti1—Ba1viii111.549 (14)Ba2viii—Si2—Ba2xxv175.7 (6)
Ba1xii—Ti1—Ba1viii62.38 (6)O10—Si3—O10iv121.2 (19)
O2viii—Ti1—Ba1i131.5 (6)O10—Si3—O1106.7 (6)
O2—Ti1—Ba1i48.5 (6)O10iv—Si3—O1106.7 (6)
O2xii—Ti1—Ba1i88.7 (6)O10—Si3—O1iv106.7 (6)
O2i—Ti1—Ba1i91.3 (6)O10iv—Si3—O1iv106.7 (6)
O11viii—Ti1—Ba1i138.3 (4)O1—Si3—O1iv108.5 (17)
O11—Ti1—Ba1i41.7 (4)O10—Si3—Ba1xv46.0 (6)
Ti1vi—Ti1—Ba1i111.549 (14)O10iv—Si3—Ba1xv137.4 (6)
Ti1xiii—Ti1—Ba1i68.451 (14)O1—Si3—Ba1xv60.9 (3)
Ba1xii—Ti1—Ba1i180.00 (5)O1iv—Si3—Ba1xv115.9 (4)
Ba1viii—Ti1—Ba1i117.62 (6)O10—Si3—Ba1xix137.4 (6)
O2viii—Ti1—Ba188.7 (6)O10iv—Si3—Ba1xix46.0 (6)
O2—Ti1—Ba191.3 (6)O1—Si3—Ba1xix115.9 (4)
O2xii—Ti1—Ba1131.5 (6)O1iv—Si3—Ba1xix60.9 (3)
O2i—Ti1—Ba148.5 (6)Ba1xv—Si3—Ba1xix175.2 (3)
O11viii—Ti1—Ba1138.3 (4)O10—Si3—Ba1137.4 (6)
O11—Ti1—Ba141.7 (4)O10iv—Si3—Ba146.0 (6)
Ti1vi—Ti1—Ba1111.549 (14)O1—Si3—Ba160.9 (3)
Ti1xiii—Ti1—Ba168.451 (14)O1iv—Si3—Ba1115.9 (4)
Ba1xii—Ti1—Ba1117.62 (6)Ba1xv—Si3—Ba1110.35 (6)
Ba1viii—Ti1—Ba1180.00 (5)Ba1xix—Si3—Ba169.43 (6)
Ba1i—Ti1—Ba162.38 (6)O10—Si3—Ba1iv46.0 (6)
O8xiv—Ti2—O8iv180.000 (2)O10iv—Si3—Ba1iv137.4 (6)
O8xiv—Ti2—O8x98.2 (14)O1—Si3—Ba1iv115.9 (4)
O8iv—Ti2—O8x81.8 (14)O1iv—Si3—Ba1iv60.9 (3)
O8xiv—Ti2—O881.8 (14)Ba1xv—Si3—Ba1iv69.43 (6)
O8iv—Ti2—O898.2 (14)Ba1xix—Si3—Ba1iv110.35 (6)
O8x—Ti2—O8180.000 (3)Ba1—Si3—Ba1iv175.2 (3)
O8xiv—Ti2—O7x90.000 (4)O11xi—Si4—O11114 (2)
O8iv—Ti2—O7x90.000 (4)O11xi—Si4—O1i109.3 (6)
O8x—Ti2—O7x90.000 (4)O11—Si4—O1i109.3 (6)
O8—Ti2—O7x90.000 (4)O11xi—Si4—O1109.3 (6)
O8xiv—Ti2—O790.000 (3)O11—Si4—O1109.3 (6)
O8iv—Ti2—O790.000 (5)O1i—Si4—O1105.4 (17)
O8x—Ti2—O790.000 (4)O11xi—Si4—Ba1i136.1 (6)
O8—Ti2—O790.000 (2)O11—Si4—Ba1i49.7 (6)
O7x—Ti2—O7180.000 (1)O1i—Si4—Ba1i60.1 (3)
O8xiv—Ti2—Ti3139.1 (7)O1—Si4—Ba1i114.6 (4)
O8iv—Ti2—Ti340.9 (7)O11xi—Si4—Ba1xv49.7 (6)
O8x—Ti2—Ti340.9 (7)O11—Si4—Ba1xv136.1 (6)
O8—Ti2—Ti3139.1 (7)O1i—Si4—Ba1xv114.6 (4)
O7x—Ti2—Ti390.000 (2)O1—Si4—Ba1xv60.1 (3)
O7—Ti2—Ti390.000 (2)Ba1i—Si4—Ba1xv172.2 (3)
O8xiv—Ti2—Ti3xv40.9 (7)O11xi—Si4—Ba1xxvi49.7 (6)
O8iv—Ti2—Ti3xv139.1 (7)O11—Si4—Ba1xxvi136.1 (6)
O8x—Ti2—Ti3xv139.1 (7)O1i—Si4—Ba1xxvi60.1 (3)
O8—Ti2—Ti3xv40.9 (7)O1—Si4—Ba1xxvi114.6 (4)
O7x—Ti2—Ti3xv90.000 (2)Ba1i—Si4—Ba1xxvi109.26 (7)
O7—Ti2—Ti3xv90.000 (2)Ba1xv—Si4—Ba1xxvi70.18 (6)
Ti3—Ti2—Ti3xv180.0O11xi—Si4—Ba1136.1 (6)
O8xiv—Ti2—Ba2xvi51.54 (14)O11—Si4—Ba149.7 (6)
O8iv—Ti2—Ba2xvi128.46 (14)O1i—Si4—Ba1114.6 (4)
O8x—Ti2—Ba2xvi87.0 (5)O1—Si4—Ba160.1 (3)
O8—Ti2—Ba2xvi93.0 (5)Ba1i—Si4—Ba170.18 (6)
O7x—Ti2—Ba2xvi39.65 (5)Ba1xv—Si4—Ba1109.26 (7)
O7—Ti2—Ba2xvi140.35 (5)Ba1xxvi—Si4—Ba1172.2 (3)
Ti3—Ti2—Ba2xvi112.14 (4)Si4—O1—Si3163.0 (16)
Ti3xv—Ti2—Ba2xvi67.86 (4)Si4—O1—Ba1xv93.4 (5)
O8xiv—Ti2—Ba2xi93.0 (5)Si3—O1—Ba1xv92.4 (5)
O8iv—Ti2—Ba2xi87.0 (5)Si4—O1—Ba193.4 (5)
O8x—Ti2—Ba2xi128.46 (14)Si3—O1—Ba192.4 (5)
O8—Ti2—Ba2xi51.54 (14)Ba1xv—O1—Ba1139.8 (8)
O7x—Ti2—Ba2xi39.65 (5)Ti1—O2—Ti1xiii96.9 (12)
O7—Ti2—Ba2xi140.35 (5)Ti1—O2—Ti4130.0 (6)
Ti3—Ti2—Ba2xi112.14 (4)Ti1xiii—O2—Ti4130.0 (6)
Ti3xv—Ti2—Ba2xi67.86 (4)Ti1—O2—Ba1i102.9 (7)
Ba2xvi—Ti2—Ba2xi61.97 (11)Ti1xiii—O2—Ba1i102.9 (7)
O8xiv—Ti2—Ba2xvii128.46 (14)Ti4—O2—Ba1i84.6 (8)
O8iv—Ti2—Ba2xvii51.54 (14)Ti5iv—O3—Ti598.6 (13)
O8x—Ti2—Ba2xvii93.0 (5)Ti5iv—O3—Ba2xi153.7 (13)
O8—Ti2—Ba2xvii87.0 (5)Ti5—O3—Ba2xi91.2 (4)
O7x—Ti2—Ba2xvii140.35 (5)Ti5iv—O3—Ba291.2 (4)
O7—Ti2—Ba2xvii39.65 (5)Ti5—O3—Ba2153.7 (13)
Ti3—Ti2—Ba2xvii67.86 (4)Ba2xi—O3—Ba270.5 (8)
Ti3xv—Ti2—Ba2xvii112.14 (4)Si2—O4—Si2v120 (2)
Ba2xvi—Ti2—Ba2xvii180.0Si2—O4—Ti4120.0 (11)
Ba2xi—Ti2—Ba2xvii118.03 (11)Si2v—O4—Ti4120.0 (11)
O8xiv—Ti2—Ba2xiv87.0 (5)Si2—O4—Ba2viii109.1 (13)
O8iv—Ti2—Ba2xiv93.0 (5)Si2v—O4—Ba2viii49.5 (5)
O8x—Ti2—Ba2xiv51.54 (14)Ti4—O4—Ba2viii107.9 (9)
O8—Ti2—Ba2xiv128.46 (14)Si2—O4—Ba2xiii49.5 (5)
O7x—Ti2—Ba2xiv39.65 (5)Si2v—O4—Ba2xiii109.1 (13)
O7—Ti2—Ba2xiv140.35 (5)Ti4—O4—Ba2xiii107.9 (9)
Ti3—Ti2—Ba2xiv67.86 (4)Ba2viii—O4—Ba2xiii68.6 (6)
Ti3xv—Ti2—Ba2xiv112.14 (4)Si2—O4—Ba2ii48.8 (5)
Ba2xvi—Ti2—Ba2xiv44.28 (8)Si2v—O4—Ba2ii104.5 (12)
Ba2xi—Ti2—Ba2xiv79.29 (10)Ti4—O4—Ba2ii115.0 (9)
Ba2xvii—Ti2—Ba2xiv135.72 (8)Ba2viii—O4—Ba2ii137.1 (13)
O8x—Ti3—O8iii180.000 (2)Ba2xiii—O4—Ba2ii98.1 (6)
O8x—Ti3—O8iv83.3 (15)Si2—O4—Ba2i104.5 (12)
O8iii—Ti3—O8iv96.7 (15)Si2v—O4—Ba2i48.8 (5)
O8x—Ti3—O8xviii96.7 (15)Ti4—O4—Ba2i115.0 (9)
O8iii—Ti3—O8xviii83.3 (15)Ba2viii—O4—Ba2i98.1 (6)
O8iv—Ti3—O8xviii180.000 (3)Ba2xiii—O4—Ba2i137.1 (13)
O8x—Ti3—O6ix90.000 (4)Ba2ii—O4—Ba2i63.4 (5)
O8iii—Ti3—O6ix90.000 (4)Ti5xxiii—O5—Ti596.3 (11)
O8iv—Ti3—O6ix90.000 (4)Ti5xxiii—O5—Ba2iv146.7 (11)
O8xviii—Ti3—O6ix90.000 (4)Ti5—O5—Ba2iv92.0 (4)
O8x—Ti3—O690.000 (3)Ti5xxiii—O5—Ba2xxvii92.0 (4)
O8iii—Ti3—O690.000 (5)Ti5—O5—Ba2xxvii146.7 (11)
O8iv—Ti3—O690.000 (3)Ba2iv—O5—Ba2xxvii65.0 (5)
O8xviii—Ti3—O690.000 (5)Ti5xxiii—O5—Ba1iv102.1 (8)
O6ix—Ti3—O6180.000 (1)Ti5—O5—Ba1iv102.1 (8)
O8x—Ti3—Ti241.6 (8)Ba2iv—O5—Ba1iv107.5 (7)
O8iii—Ti3—Ti2138.4 (8)Ba2xxvii—O5—Ba1iv107.5 (7)
O8iv—Ti3—Ti241.6 (8)Si1v—O6—Si1123 (3)
O8xviii—Ti3—Ti2138.4 (8)Si1v—O6—Ti3118.3 (14)
O6ix—Ti3—Ti290.000 (2)Si1—O6—Ti3118.3 (14)
O6—Ti3—Ti290.000 (2)Si1v—O6—Ba2xix49.8 (4)
O8x—Ti3—Ti2iii138.4 (8)Si1—O6—Ba2xix106.0 (13)
O8iii—Ti3—Ti2iii41.6 (8)Ti3—O6—Ba2xix112.9 (8)
O8iv—Ti3—Ti2iii138.4 (8)Si1v—O6—Ba2xvii106.0 (13)
O8xviii—Ti3—Ti2iii41.6 (8)Si1—O6—Ba2xvii49.8 (4)
O6ix—Ti3—Ti2iii90.000 (2)Ti3—O6—Ba2xvii112.9 (8)
O6—Ti3—Ti2iii90.000 (2)Ba2xix—O6—Ba2xvii63.1 (4)
Ti2—Ti3—Ti2iii180.0Si1v—O6—Ba2vii106.0 (13)
O8x—Ti3—Ba2xiv52.24 (15)Si1—O6—Ba2vii49.8 (4)
O8iii—Ti3—Ba2xiv127.76 (15)Ti3—O6—Ba2vii112.9 (8)
O8iv—Ti3—Ba2xiv94.4 (5)Ba2xix—O6—Ba2vii134.3 (16)
O8xviii—Ti3—Ba2xiv85.6 (5)Ba2xvii—O6—Ba2vii98.7 (8)
O6ix—Ti3—Ba2xiv39.09 (5)Si1v—O6—Ba2ix49.8 (4)
O6—Ti3—Ba2xiv140.91 (5)Si1—O6—Ba2ix106.0 (13)
Ti2—Ti3—Ba2xiv69.02 (4)Ti3—O6—Ba2ix112.9 (8)
Ti2iii—Ti3—Ba2xiv110.98 (4)Ba2xix—O6—Ba2ix98.7 (8)
O8x—Ti3—Ba2v127.76 (15)Ba2xvii—O6—Ba2ix134.3 (16)
O8iii—Ti3—Ba2v52.24 (15)Ba2vii—O6—Ba2ix63.1 (4)
O8iv—Ti3—Ba2v85.6 (5)Si1—O7—Si1xi120 (3)
O8xviii—Ti3—Ba2v94.4 (5)Si1—O7—Ti2120.0 (13)
O6ix—Ti3—Ba2v39.09 (5)Si1xi—O7—Ti2120.0 (13)
O6—Ti3—Ba2v140.91 (5)Si1—O7—Ba2xvii48.1 (4)
Ti2—Ti3—Ba2v110.98 (4)Si1xi—O7—Ba2xvii105.8 (13)
Ti2iii—Ti3—Ba2v69.02 (4)Ti2—O7—Ba2xvii113.3 (7)
Ba2xiv—Ti3—Ba2v78.17 (11)Si1—O7—Ba2iv105.8 (13)
O8x—Ti3—Ba2xix127.76 (15)Si1xi—O7—Ba2iv48.1 (4)
O8iii—Ti3—Ba2xix52.24 (15)Ti2—O7—Ba2iv113.3 (7)
O8iv—Ti3—Ba2xix85.6 (5)Ba2xvii—O7—Ba2iv65.7 (4)
O8xviii—Ti3—Ba2xix94.4 (5)Si1—O7—Ba2x105.8 (13)
O6ix—Ti3—Ba2xix140.91 (5)Si1xi—O7—Ba2x48.1 (4)
O6—Ti3—Ba2xix39.09 (5)Ti2—O7—Ba2x113.3 (7)
Ti2—Ti3—Ba2xix110.98 (4)Ba2xvii—O7—Ba2x133.4 (15)
Ti2iii—Ti3—Ba2xix69.02 (4)Ba2iv—O7—Ba2x95.7 (7)
Ba2xiv—Ti3—Ba2xix180.0Si1—O7—Ba2vii48.1 (4)
Ba2v—Ti3—Ba2xix101.83 (11)Si1xi—O7—Ba2vii105.8 (13)
O8x—Ti3—Ba2xx85.6 (5)Ti2—O7—Ba2vii113.3 (7)
O8iii—Ti3—Ba2xx94.4 (5)Ba2xvii—O7—Ba2vii95.7 (7)
O8iv—Ti3—Ba2xx127.76 (15)Ba2iv—O7—Ba2vii133.4 (15)
O8xviii—Ti3—Ba2xx52.24 (15)Ba2x—O7—Ba2vii65.7 (4)
O6ix—Ti3—Ba2xx39.09 (5)Ti3xv—O8—Ti297.5 (13)
O6—Ti3—Ba2xx140.91 (5)Ti3xv—O8—Ti5131.0 (12)
Ti2—Ti3—Ba2xx110.98 (4)Ti2—O8—Ti5131.6 (11)
Ti2iii—Ti3—Ba2xx69.02 (4)Ti3xv—O8—Ba2xi99.0 (4)
Ba2xiv—Ti3—Ba2xx41.96 (8)Ti2—O8—Ba2xi99.5 (4)
Ba2v—Ti3—Ba2xx62.53 (11)Ti5—O8—Ba2xi75.9 (5)
Ba2xix—Ti3—Ba2xx138.04 (8)Ti3xv—O8—Ba2iv99.0 (4)
O9xii—Ti4—O9xxi107.7 (13)Ti2—O8—Ba2iv99.5 (4)
O9xii—Ti4—O492.0 (8)Ti5—O8—Ba2iv75.9 (5)
O9xxi—Ti4—O492.0 (8)Ba2xi—O8—Ba2iv151.7 (10)
O9xii—Ti4—O296.1 (8)Ti4xii—O9—Ti498.4 (10)
O9xxi—Ti4—O296.1 (8)Ti4xii—O9—Ba1i148.0 (11)
O4—Ti4—O2166.3 (9)Ti4—O9—Ba1i95.3 (6)
O9xii—Ti4—O9v170.7 (6)Ti4xii—O9—Ba2i99.8 (8)
O9xxi—Ti4—O9v81.5 (10)Ti4—O9—Ba2i100.2 (8)
O4—Ti4—O9v86.2 (7)Ba1i—O9—Ba2i106.0 (7)
O2—Ti4—O9v84.0 (7)Si3—O10—Ti5123.2 (13)
O9xii—Ti4—O981.5 (10)Si3—O10—Ba1xv109.4 (9)
O9xxi—Ti4—O9170.7 (6)Ti5—O10—Ba1xv107.5 (7)
O4—Ti4—O986.2 (7)Si3—O10—Ba1iv109.4 (9)
O2—Ti4—O984.0 (7)Ti5—O10—Ba1iv107.5 (7)
O9v—Ti4—O989.2 (10)Ba1xv—O10—Ba1iv96.6 (7)
O9xii—Ti4—Ti4xxii151.9 (7)Si4—O11—Ti1126.9 (14)
O9xxi—Ti4—Ti4xxii44.2 (6)Si4—O11—Ba1i104.9 (10)
O4—Ti4—Ti4xxii89.36 (10)Ti1—O11—Ba1i110.7 (7)
O2—Ti4—Ti4xxii88.72 (10)Si4—O11—Ba1104.9 (10)
O9v—Ti4—Ti4xxii37.3 (5)Ti1—O11—Ba1110.7 (7)
O9—Ti4—Ti4xxii126.6 (6)Ba1i—O11—Ba193.4 (7)
O9xii—Ti4—Ti4xii44.2 (6)Ba2—O12—Si1vii101 (2)
O9xxi—Ti4—Ti4xii151.9 (7)Ba2—O12—Si2vi96 (2)
O4—Ti4—Ti4xii89.36 (10)Si1vii—O12—Si2vi162 (3)
O2—Ti4—Ti4xii88.72 (10)Ba2—O12—Ba2v68.5 (15)
O9v—Ti4—Ti4xii126.6 (6)Si1vii—O12—Ba2v95.1 (14)
O9—Ti4—Ti4xii37.3 (5)Si2vi—O12—Ba2v92.9 (13)
Ti4xxii—Ti4—Ti4xii163.9 (5)Ba2—O12—Ba2xi71.6 (15)
O9xii—Ti4—Ba1i123.9 (7)Si1vii—O12—Ba2xi92.6 (13)
O9xxi—Ti4—Ba1i123.9 (7)Si2vi—O12—Ba2xi91.4 (12)
O4—Ti4—Ba1i105.7 (6)Ba2v—O12—Ba2xi140.1 (12)
O2—Ti4—Ba1i60.5 (6)Ba1i—OW1—Ba190.91 (9)
O9v—Ti4—Ba1i48.4 (5)Ba1i—OW1—Ba1xxviii89.09 (9)
O9—Ti4—Ba1i48.4 (5)Ba1—OW1—Ba1xxviii180.00 (8)
Ti4xxii—Ti4—Ba1i82.4 (2)Ba1i—OW1—Ba1xix180.00 (5)
Ti4xii—Ti4—Ba1i82.4 (2)Ba1—OW1—Ba1xix89.09 (9)
O9xii—Ti4—Ba2xiii91.6 (7)Ba1xxviii—OW1—Ba1xix90.91 (9)
O9xxi—Ti4—Ba2xiii52.0 (7)Si2vi—OW2—Si2xxix180.000 (2)
O4—Ti4—Ba2xiii42.3 (5)Si2vi—OW2—Si1xxx90.000 (2)
O2—Ti4—Ba2xiii147.9 (4)Si2xxix—OW2—Si1xxx90.000 (2)
O9v—Ti4—Ba2xiii93.2 (6)Si2vi—OW2—Si1vii90.000 (2)
O9—Ti4—Ba2xiii128.0 (7)Si2xxix—OW2—Si1vii90.000 (2)
Ti4xxii—Ti4—Ba2xiii70.91 (12)Si1xxx—OW2—Si1vii180.000 (3)
Ti4xii—Ti4—Ba2xiii117.54 (14)Si2vi—OW2—Ba2xii44.61 (7)
Ba1i—Ti4—Ba2xiii136.29 (17)Si2xxix—OW2—Ba2xii135.39 (7)
O9xii—Ti4—Ba2viii52.0 (7)Si1xxx—OW2—Ba2xii45.41 (7)
O9xxi—Ti4—Ba2viii91.6 (7)Si1vii—OW2—Ba2xii134.59 (7)
O4—Ti4—Ba2viii42.3 (5)Si2vi—OW2—Ba244.61 (7)
O2—Ti4—Ba2viii147.9 (4)Si2xxix—OW2—Ba2135.39 (7)
O9v—Ti4—Ba2viii128.0 (7)Si1xxx—OW2—Ba2134.59 (7)
O9—Ti4—Ba2viii93.2 (6)Si1vii—OW2—Ba245.41 (7)
Ti4xxii—Ti4—Ba2viii117.54 (14)Ba2xii—OW2—Ba289.22 (14)
Ti4xii—Ti4—Ba2viii70.91 (12)Si2vi—OW2—Ba2xxxi135.39 (7)
Ba1i—Ti4—Ba2viii136.29 (17)Si2xxix—OW2—Ba2xxxi44.61 (7)
Ba2xiii—Ti4—Ba2viii46.98 (12)Si1xxx—OW2—Ba2xxxi45.41 (7)
O9xii—Ti4—Ba2ii127.8 (7)Si1vii—OW2—Ba2xxxi134.59 (7)
O9xxi—Ti4—Ba2ii92.0 (7)Ba2xii—OW2—Ba2xxxi90.78 (14)
O4—Ti4—Ba2ii38.2 (5)Ba2—OW2—Ba2xxxi180.00 (10)
O2—Ti4—Ba2ii130.1 (5)Si2vi—OW2—Ba2xiv135.39 (7)
O9v—Ti4—Ba2ii48.6 (6)Si2xxix—OW2—Ba2xiv44.61 (7)
O9—Ti4—Ba2ii80.9 (6)Si1xxx—OW2—Ba2xiv134.59 (7)
Ti4xxii—Ti4—Ba2ii64.29 (14)Si1vii—OW2—Ba2xiv45.41 (7)
Ti4xii—Ti4—Ba2ii105.99 (19)Ba2xii—OW2—Ba2xiv180.0
Ba1i—Ti4—Ba2ii74.25 (13)Ba2—OW2—Ba2xiv90.78 (14)
Ba2xiii—Ti4—Ba2ii63.20 (14)Ba2xxxi—OW2—Ba2xiv89.22 (14)
Ba2viii—Ti4—Ba2ii80.49 (17)
Symmetry codes: (i) x, y, z; (ii) x, y, z; (iii) x1, y, z; (iv) x+1, y, z; (v) x, y, z; (vi) x+1/2, y+1/2, z; (vii) x, y, z+1; (viii) x+1/2, y+1/2, z; (ix) x, y, z+1; (x) x+1, y, z+1; (xi) x+1, y, z; (xii) x+1/2, y+1/2, z; (xiii) x1/2, y+1/2, z; (xiv) x, y, z+1; (xv) x+1, y, z; (xvi) x+1, y, z+1; (xvii) x, y, z; (xviii) x1, y, z+1; (xix) x, y, z; (xx) x, y, z+1; (xxi) x1/2, y+1/2, z; (xxii) x1/2, y+1/2, z; (xxiii) x+2, y, z; (xxiv) x1/2, y+1/2, z; (xxv) x1, y, z; (xxvi) x+1, y, z; (xxvii) x+1, y, z; (xxviii) x, y, z; (xxix) x, y, z+1; (xxx) x+1/2, y+1/2, z; (xxxi) x+1/2, y+1/2, z+1.
(II) Tetrabarium Hexatitanium Tetrasilicate Monohydrate top
Crystal data top
H2Ba3.20O25Si4Sr0.80Ti6F(000) = 1214
Mr = 1311.36Dx = 4.343 Mg m3
Monoclinic, P2/cMo Kα radiation, λ = 0.71073 Å
a = 5.906 (2) ÅCell parameters from 2479 reflections
b = 16.719 (6) Åθ = 1.2–27.9°
c = 10.724 (5) ŵ = 10.46 mm1
β = 105.99 (5)°T = 293 K
V = 1017.9 (7) Å3Prismatic, opaque grey
Z = 20.13 × 0.01 × 0.01 mm
Data collection top
Bruker Smart Apex
diffractometer
2476 independent reflections
Radiation source: fine-focus sealed tube1089 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.198
phi/ω scansθmax = 27.9°, θmin = 1.2°
Absorption correction: multi-scan
Bruker SADABS
h = 77
Tmin = 0.355, Tmax = 0.903k = 2121
10045 measured reflectionsl = 1414
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.083H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.227 w = 1/[σ2(Fo2) + (0.1034P)2]
where P = (Fo2 + 2Fc2)/3
S = 0.96(Δ/σ)max = 0.786
2476 reflectionsΔρmax = 2.87 e Å3
99 parametersΔρmin = 2.79 e Å3
0 restraintsExtinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0039 (6)
Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Ba10.0929 (8)0.1256 (2)0.0514 (4)0.0114 (13)0.78 (5)
Sr10.0929 (8)0.1256 (2)0.0514 (4)0.0114 (13)0.22 (5)
Ba20.0945 (8)0.3744 (3)0.0516 (4)0.0190 (14)0.85 (5)
Sr20.0945 (8)0.3744 (3)0.0516 (4)0.0190 (14)0.15 (5)
Ti10.00000.2479 (13)0.25000.0098 (12)
Ti20.262 (2)0.4477 (6)0.2709 (10)0.017 (2)*
Ti30.50000.2494 (13)0.25000.0086 (11)
Ti40.247 (2)0.0518 (6)0.2674 (10)0.014 (2)*
Si10.50000.1174 (13)0.25000.007 (5)*
Si20.3881 (11)0.2496 (12)0.0270 (5)0.0085 (11)*
Si30.50000.3833 (14)0.25000.011 (5)*
O10.433 (6)0.1677 (19)0.113 (3)0.019 (8)*
O20.428 (6)0.3225 (17)0.128 (3)0.010 (7)*
O30.232 (5)0.3277 (15)0.250 (3)0.014 (7)*
O40.254 (4)0.1717 (12)0.232 (2)0.000 (5)*
O50.062 (7)0.450 (2)0.133 (3)0.018 (9)*
O60.065 (5)0.0446 (16)0.119 (2)0.000 (6)*
O70.570 (7)0.446 (3)0.123 (3)0.013 (9)*
O80.562 (7)0.055 (3)0.123 (4)0.014 (9)*
O90.257 (6)0.0696 (15)0.257 (3)0.010 (6)*
O100.275 (5)0.4331 (14)0.236 (2)0.004 (6)*
O110.116 (3)0.249 (3)0.0548 (13)0.013 (3)*
O120.577 (3)0.251 (3)0.0565 (12)0.008 (3)*
OW10.00000.246 (4)0.25000.023 (6)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ba10.009 (3)0.0118 (17)0.016 (2)0.0037 (17)0.0082 (18)0.0016 (17)
Sr10.009 (3)0.0118 (17)0.016 (2)0.0037 (17)0.0082 (18)0.0016 (17)
Ba20.012 (3)0.023 (2)0.024 (3)0.0015 (19)0.0077 (19)0.0013 (19)
Sr20.012 (3)0.023 (2)0.024 (3)0.0015 (19)0.0077 (19)0.0013 (19)
Ti10.007 (2)0.010 (3)0.014 (3)0.0000.005 (2)0.000
Ti30.009 (2)0.006 (2)0.012 (3)0.0000.007 (2)0.000
Geometric parameters (Å, º) top
Ba1—O8i2.64 (4)Ti3—Ba1viii4.029 (12)
Ba1—O62.65 (3)Ti3—Sr1viii4.029 (12)
Ba1—O9ii2.65 (3)Ti4—O6v1.83 (3)
Ba1—O112.80 (4)Ti4—O8v1.91 (4)
Ba1—O92.80 (3)Ti4—O42.04 (2)
Ba1—OW12.87 (5)Ti4—O9ix2.05 (3)
Ba1—O12i2.88 (4)Ti4—O62.08 (3)
Ba1—O6iii2.93 (3)Ti4—O8i2.15 (4)
Ba1—O43.03 (2)Ti4—Ti4v2.84 (2)
Ba1—O13.08 (3)Ti4—Ti4viii3.11 (2)
Ba1—O1i3.13 (3)Ti4—Ba1ix3.791 (11)
Ba1—Ti43.511 (12)Ti4—Sr1ix3.791 (11)
Sr1—O8i2.64 (4)Si1—O9x1.63 (3)
Sr1—O62.65 (3)Si1—O91.63 (3)
Sr1—O9ii2.65 (3)Si1—O1ii1.65 (3)
Sr1—O112.80 (4)Si1—O1i1.65 (3)
Sr1—O92.80 (3)Si1—Sr1ii3.565 (5)
Sr1—OW12.87 (5)Si1—Ba1ii3.565 (5)
Sr1—O12i2.88 (4)Si1—Ba1i3.565 (5)
Sr1—O6iii2.93 (3)Si1—Sr1i3.565 (5)
Sr1—O43.03 (2)Si1—Sr1x3.627 (5)
Sr1—O13.08 (3)Si1—Ba1x3.627 (5)
Sr1—O1i3.13 (3)Si2—O21.60 (3)
Sr1—Ti43.511 (12)Si2—O111.605 (16)
Ba2—O7i2.61 (4)Si2—O121.612 (17)
Ba2—O102.68 (3)Si2—O11.63 (3)
Ba2—O52.71 (4)Si2—Sr1vi3.649 (14)
Ba2—O112.84 (4)Si2—Ba1vi3.649 (14)
Ba2—O12i2.85 (4)Si2—Sr2vi3.650 (14)
Ba2—O10ii2.86 (3)Si2—Ba2vi3.650 (14)
Ba2—OW12.96 (5)Si3—O101.61 (3)
Ba2—O5iv3.06 (3)Si3—O10x1.61 (3)
Ba2—O23.09 (3)Si3—O2i1.62 (3)
Ba2—O33.21 (3)Si3—O2ii1.62 (3)
Ba2—O2i3.26 (3)Si3—Sr2ii3.572 (5)
Ba2—Ti23.543 (12)Si3—Ba2ii3.572 (5)
Sr2—O7i2.61 (4)Si3—Ba2i3.572 (5)
Sr2—O102.68 (3)Si3—Sr2i3.572 (5)
Sr2—O52.71 (4)Si3—Ba2x3.618 (5)
Sr2—O112.84 (4)Si3—Sr2x3.618 (5)
Sr2—O12i2.85 (4)O1—Si1vi1.65 (3)
Sr2—O10ii2.86 (3)O1—Ba1vi3.13 (3)
Sr2—OW12.96 (5)O1—Sr1vi3.13 (3)
Sr2—O5iv3.06 (3)O2—Si3vi1.62 (3)
Sr2—O23.09 (3)O2—Ba2vi3.26 (3)
Sr2—O33.21 (3)O2—Sr2vi3.26 (3)
Sr2—O2i3.26 (3)O5—Ti2v1.77 (4)
Sr2—Ti23.543 (12)O5—Ba2iv3.06 (3)
Ti1—O3v1.91 (3)O5—Sr2iv3.06 (3)
Ti1—O31.91 (3)O6—Ti4v1.83 (3)
Ti1—O112.015 (14)O6—Ba1iii2.93 (3)
Ti1—O11v2.015 (14)O6—Sr1iii2.93 (3)
Ti1—O42.02 (3)O7—Ti2v1.86 (4)
Ti1—O4v2.02 (3)O7—Ti2vi2.09 (4)
Ti1—Ti3vi2.9531 (11)O7—Ba2vi2.61 (4)
Ti1—Ti32.9531 (11)O7—Sr2vi2.61 (4)
Ti1—Sr1v3.989 (12)O8—Ti4v1.91 (4)
Ti1—Ba1v3.989 (12)O8—Ti4vi2.15 (4)
Ti2—O5v1.77 (4)O8—Ba1vi2.64 (4)
Ti2—O7v1.86 (4)O8—Sr1vi2.64 (4)
Ti2—O10vii2.00 (3)O9—Ti4xi2.05 (3)
Ti2—O32.02 (3)O9—Sr1ii2.65 (3)
Ti2—O52.07 (4)O9—Ba1ii2.65 (3)
Ti2—O7i2.09 (4)O10—Ti2xii2.00 (3)
Ti2—Ti2viii2.97 (2)O10—Ba2ii2.86 (3)
Ti2—Ti2v3.00 (2)O10—Sr2ii2.86 (3)
Ti2—Sr2vii3.805 (12)O12—Ti3vi1.998 (13)
Ti2—Ba2vii3.805 (12)O12—Sr2vi2.85 (4)
Ti3—O41.92 (3)O12—Ba2vi2.85 (4)
Ti3—O4viii1.92 (3)O12—Ba1vi2.88 (4)
Ti3—O12i1.998 (13)O12—Sr1vi2.88 (4)
Ti3—O12v1.998 (13)OW1—Sr1ii2.87 (5)
Ti3—O32.06 (3)OW1—Ba1ii2.87 (5)
Ti3—O3viii2.06 (3)OW1—Sr2ii2.96 (5)
Ti3—Ti1i2.9531 (11)OW1—Ba2ii2.96 (5)
O8i—Ba1—O668.3 (11)O12i—Ti3—Ba142.2 (13)
O8i—Ba1—O9ii132.5 (11)O12v—Ti3—Ba1139.0 (14)
O6—Ba1—O9ii90.4 (9)O3—Ti3—Ba192.2 (8)
O8i—Ba1—O11112.5 (10)O3viii—Ti3—Ba1128.1 (8)
O6—Ba1—O1179.4 (10)Ti1—Ti3—Ba167.7 (3)
O9ii—Ba1—O11103.8 (8)Ti1i—Ti3—Ba1111.8 (4)
O8i—Ba1—O992.4 (11)Ba1viii—Ti3—Ba1118.2 (5)
O6—Ba1—O9129.7 (8)Sr1viii—Ti3—Ba1118.2 (5)
O9ii—Ba1—O968.7 (12)Sr1—Ti3—Ba10.00 (14)
O11—Ba1—O9148.5 (9)O6v—Ti4—O8v104.2 (14)
O8i—Ba1—OW1142.5 (10)O6v—Ti4—O4103.4 (12)
O6—Ba1—OW1147.2 (7)O8v—Ti4—O491.3 (15)
O9ii—Ba1—OW174.0 (10)O6v—Ti4—O9ix93.6 (13)
O11—Ba1—OW176.7 (11)O8v—Ti4—O9ix92.6 (17)
O9—Ba1—OW171.9 (10)O4—Ti4—O9ix161.1 (12)
O8i—Ba1—O12i74.7 (12)O6v—Ti4—O686.8 (11)
O6—Ba1—O12i115.0 (6)O8v—Ti4—O6168.8 (16)
O9ii—Ba1—O12i149.9 (9)O4—Ti4—O688.5 (10)
O11—Ba1—O12i68.1 (7)O9ix—Ti4—O684.1 (12)
O9—Ba1—O12i102.5 (7)O6v—Ti4—O8i175.3 (15)
OW1—Ba1—O12i75.9 (10)O8v—Ti4—O8i79.9 (16)
O8i—Ba1—O6iii73.7 (11)O4—Ti4—O8i78.7 (14)
O6—Ba1—O6iii70.7 (9)O9ix—Ti4—O8i83.7 (15)
O9ii—Ba1—O6iii59.1 (8)O6—Ti4—O8i89.1 (13)
O11—Ba1—O6iii144.6 (10)O6v—Ti4—Ti4v47.0 (9)
O9—Ba1—O6iii59.2 (7)O8v—Ti4—Ti4v151.0 (13)
OW1—Ba1—O6iii120.7 (11)O4—Ti4—Ti4v92.7 (8)
O12i—Ba1—O6iii142.4 (9)O9ix—Ti4—Ti4v92.8 (10)
O8i—Ba1—O455.5 (10)O6—Ti4—Ti4v40.2 (8)
O6—Ba1—O460.4 (7)O8i—Ti4—Ti4v129.0 (12)
O9ii—Ba1—O4146.2 (9)O6v—Ti4—Ti4viii146.8 (10)
O11—Ba1—O457.0 (5)O8v—Ti4—Ti4viii42.9 (12)
O9—Ba1—O4142.7 (8)O4—Ti4—Ti4viii84.8 (8)
OW1—Ba1—O4120.6 (11)O9ix—Ti4—Ti4viii85.5 (10)
O12i—Ba1—O454.6 (6)O6—Ti4—Ti4viii126.0 (10)
O6iii—Ba1—O4118.5 (6)O8i—Ti4—Ti4viii37.1 (10)
O8i—Ba1—O1142.4 (11)Ti4v—Ti4—Ti4viii166.1 (8)
O6—Ba1—O174.7 (9)O6v—Ti4—Sr1128.8 (9)
O9ii—Ba1—O152.3 (9)O8v—Ti4—Sr1122.5 (13)
O11—Ba1—O152.1 (7)O4—Ti4—Sr159.3 (7)
O9—Ba1—O1117.1 (9)O9ix—Ti4—Sr1103.5 (8)
OW1—Ba1—O172.9 (6)O6—Ti4—Sr148.6 (8)
O12i—Ba1—O1116.9 (9)O8i—Ti4—Sr148.6 (11)
O6iii—Ba1—O1100.6 (8)Ti4v—Ti4—Sr183.7 (4)
O4—Ba1—O1100.1 (8)Ti4viii—Ti4—Sr183.3 (4)
O8i—Ba1—O1i71.9 (11)O6v—Ti4—Ba1128.8 (9)
O6—Ba1—O1i140.2 (8)O8v—Ti4—Ba1122.5 (13)
O9ii—Ba1—O1i117.9 (9)O4—Ti4—Ba159.3 (7)
O11—Ba1—O1i116.1 (10)O9ix—Ti4—Ba1103.5 (8)
O9—Ba1—O1i52.1 (8)O6—Ti4—Ba148.6 (8)
OW1—Ba1—O1i71.7 (6)O8i—Ti4—Ba148.6 (11)
O12i—Ba1—O1i51.3 (7)Ti4v—Ti4—Ba183.7 (4)
O6iii—Ba1—O1i99.1 (8)Ti4viii—Ti4—Ba183.3 (4)
O4—Ba1—O1i95.9 (7)Sr1—Ti4—Ba10.00 (19)
O1—Ba1—O1i144.5 (11)O6v—Ti4—Ba1ix48.9 (9)
O8i—Ba1—Ti437.7 (9)O8v—Ti4—Ba1ix92.0 (13)
O6—Ba1—Ti436.1 (6)O4—Ti4—Ba1ix151.9 (8)
O9ii—Ba1—Ti4124.6 (6)O9ix—Ti4—Ba1ix46.4 (9)
O11—Ba1—Ti483.5 (6)O6—Ti4—Ba1ix93.4 (8)
O9—Ba1—Ti4126.6 (6)O8i—Ti4—Ba1ix129.3 (12)
OW1—Ba1—Ti4156.0 (10)Ti4v—Ti4—Ba1ix71.6 (3)
O12i—Ba1—Ti484.2 (5)Ti4viii—Ti4—Ba1ix115.8 (3)
O6iii—Ba1—Ti483.3 (5)Sr1—Ti4—Ba1ix137.7 (3)
O4—Ba1—Ti435.4 (4)Ba1—Ti4—Ba1ix137.7 (3)
O1—Ba1—Ti4105.3 (6)O6v—Ti4—Sr1ix48.9 (9)
O1i—Ba1—Ti4106.1 (6)O8v—Ti4—Sr1ix92.0 (13)
O8i—Sr1—O668.3 (11)O4—Ti4—Sr1ix151.9 (8)
O8i—Sr1—O9ii132.5 (11)O9ix—Ti4—Sr1ix46.4 (9)
O6—Sr1—O9ii90.4 (9)O6—Ti4—Sr1ix93.4 (8)
O8i—Sr1—O11112.5 (10)O8i—Ti4—Sr1ix129.3 (12)
O6—Sr1—O1179.4 (10)Ti4v—Ti4—Sr1ix71.6 (3)
O9ii—Sr1—O11103.8 (8)Ti4viii—Ti4—Sr1ix115.8 (3)
O8i—Sr1—O992.4 (11)Sr1—Ti4—Sr1ix137.7 (3)
O6—Sr1—O9129.7 (8)Ba1—Ti4—Sr1ix137.7 (3)
O9ii—Sr1—O968.7 (12)Ba1ix—Ti4—Sr1ix0.00 (15)
O11—Sr1—O9148.5 (9)O9x—Si1—O9121 (2)
O8i—Sr1—OW1142.5 (10)O9x—Si1—O1ii106.4 (15)
O6—Sr1—OW1147.2 (7)O9—Si1—O1ii102.7 (15)
O9ii—Sr1—OW174.0 (10)O9x—Si1—O1i102.7 (15)
O11—Sr1—OW176.7 (11)O9—Si1—O1i106.4 (15)
O9—Sr1—OW171.9 (10)O1ii—Si1—O1i119 (3)
O8i—Sr1—O12i74.7 (12)O9x—Si1—Sr1ii139.1 (12)
O6—Sr1—O12i115.0 (6)O9—Si1—Sr1ii44.1 (10)
O9ii—Sr1—O12i149.9 (9)O1ii—Si1—Sr1ii59.5 (12)
O11—Sr1—O12i68.1 (7)O1i—Si1—Sr1ii117.9 (13)
O9—Sr1—O12i102.5 (7)O9x—Si1—Ba1ii139.1 (12)
OW1—Sr1—O12i75.9 (10)O9—Si1—Ba1ii44.1 (10)
O8i—Sr1—O6iii73.7 (11)O1ii—Si1—Ba1ii59.5 (12)
O6—Sr1—O6iii70.7 (9)O1i—Si1—Ba1ii117.9 (13)
O9ii—Sr1—O6iii59.1 (8)Sr1ii—Si1—Ba1ii0.00 (13)
O11—Sr1—O6iii144.6 (10)O9x—Si1—Ba1i44.1 (10)
O9—Sr1—O6iii59.2 (7)O9—Si1—Ba1i139.1 (12)
OW1—Sr1—O6iii120.7 (11)O1ii—Si1—Ba1i117.9 (13)
O12i—Sr1—O6iii142.4 (9)O1i—Si1—Ba1i59.5 (12)
O8i—Sr1—O455.5 (10)Sr1ii—Si1—Ba1i175.6 (7)
O6—Sr1—O460.4 (7)Ba1ii—Si1—Ba1i175.6 (7)
O9ii—Sr1—O4146.2 (9)O9x—Si1—Sr1i44.1 (10)
O11—Sr1—O457.0 (5)O9—Si1—Sr1i139.1 (12)
O9—Sr1—O4142.7 (8)O1ii—Si1—Sr1i117.9 (13)
OW1—Sr1—O4120.6 (11)O1i—Si1—Sr1i59.5 (12)
O12i—Sr1—O454.6 (6)Sr1ii—Si1—Sr1i175.6 (7)
O6iii—Sr1—O4118.5 (6)Ba1ii—Si1—Sr1i175.6 (7)
O8i—Sr1—O1142.4 (11)Ba1i—Si1—Sr1i0.00 (8)
O6—Sr1—O174.7 (9)O9x—Si1—Ba1135.3 (11)
O9ii—Sr1—O152.3 (9)O9—Si1—Ba147.6 (10)
O11—Sr1—O152.1 (7)O1ii—Si1—Ba1118.1 (13)
O9—Sr1—O1117.1 (9)O1i—Si1—Ba159.3 (12)
OW1—Sr1—O172.9 (6)Sr1ii—Si1—Ba169.41 (11)
O12i—Sr1—O1116.9 (9)Ba1ii—Si1—Ba169.41 (11)
O6iii—Sr1—O1100.6 (8)Ba1i—Si1—Ba1110.41 (12)
O4—Sr1—O1100.1 (8)Sr1i—Si1—Ba1110.41 (12)
O8i—Sr1—O1i71.9 (11)O9x—Si1—Sr1135.3 (11)
O6—Sr1—O1i140.2 (8)O9—Si1—Sr147.6 (10)
O9ii—Sr1—O1i117.9 (9)O1ii—Si1—Sr1118.1 (13)
O11—Sr1—O1i116.1 (10)O1i—Si1—Sr159.3 (12)
O9—Sr1—O1i52.1 (8)Sr1ii—Si1—Sr169.41 (11)
OW1—Sr1—O1i71.7 (6)Ba1ii—Si1—Sr169.41 (11)
O12i—Sr1—O1i51.3 (7)Ba1i—Si1—Sr1110.41 (12)
O6iii—Sr1—O1i99.1 (8)Sr1i—Si1—Sr1110.41 (12)
O4—Sr1—O1i95.9 (7)Ba1—Si1—Sr10.00 (9)
O1—Sr1—O1i144.5 (11)O9x—Si1—Sr1x47.6 (10)
O8i—Sr1—Ti437.7 (9)O9—Si1—Sr1x135.3 (11)
O6—Sr1—Ti436.1 (6)O1ii—Si1—Sr1x59.3 (12)
O9ii—Sr1—Ti4124.6 (6)O1i—Si1—Sr1x118.1 (13)
O11—Sr1—Ti483.5 (6)Sr1ii—Si1—Sr1x110.41 (12)
O9—Sr1—Ti4126.6 (6)Ba1ii—Si1—Sr1x110.41 (12)
OW1—Sr1—Ti4156.0 (10)Ba1i—Si1—Sr1x69.41 (11)
O12i—Sr1—Ti484.2 (5)Sr1i—Si1—Sr1x69.41 (11)
O6iii—Sr1—Ti483.3 (5)Ba1—Si1—Sr1x175.6 (7)
O4—Sr1—Ti435.4 (4)Sr1—Si1—Sr1x175.6 (7)
O1—Sr1—Ti4105.3 (6)O9x—Si1—Ba1x47.6 (10)
O1i—Sr1—Ti4106.1 (6)O9—Si1—Ba1x135.3 (11)
O7i—Ba2—O1089.2 (10)O1ii—Si1—Ba1x59.3 (12)
O7i—Ba2—O566.8 (12)O1i—Si1—Ba1x118.1 (13)
O10—Ba2—O5130.9 (9)Sr1ii—Si1—Ba1x110.41 (12)
O7i—Ba2—O11112.3 (10)Ba1ii—Si1—Ba1x110.41 (12)
O10—Ba2—O11151.2 (9)Ba1i—Si1—Ba1x69.41 (11)
O5—Ba2—O1176.9 (11)Sr1i—Si1—Ba1x69.41 (11)
O7i—Ba2—O12i75.1 (12)Ba1—Si1—Ba1x175.6 (7)
O10—Ba2—O12i101.6 (7)Sr1—Si1—Ba1x175.6 (7)
O5—Ba2—O12i111.6 (8)Sr1x—Si1—Ba1x0.00 (8)
O11—Ba2—O12i68.0 (7)O2—Si2—O11108 (2)
O7i—Ba2—O10ii132.6 (10)O2—Si2—O12111 (2)
O10—Ba2—O10ii69.9 (11)O11—Si2—O12116.0 (7)
O5—Ba2—O10ii94.9 (9)O2—Si2—O1106.8 (11)
O11—Ba2—O10ii104.6 (7)O11—Si2—O1107 (2)
O12i—Ba2—O10ii149.0 (8)O12—Si2—O1107 (2)
O7i—Ba2—OW1143.3 (9)O2—Si2—Sr1111.4 (12)
O10—Ba2—OW176.6 (9)O11—Si2—Sr148.7 (17)
O5—Ba2—OW1145.5 (9)O12—Si2—Sr1137.2 (18)
O11—Ba2—OW174.7 (10)O1—Si2—Sr158.9 (13)
O12i—Ba2—OW175.0 (10)O2—Si2—Ba1111.4 (12)
O10ii—Ba2—OW174.0 (9)O11—Si2—Ba148.7 (17)
O7i—Ba2—O5iv75.0 (11)O12—Si2—Ba1137.2 (18)
O10—Ba2—O5iv56.2 (8)O1—Si2—Ba158.9 (13)
O5—Ba2—O5iv75.9 (11)Sr1—Si2—Ba10.00 (18)
O11—Ba2—O5iv145.8 (11)O2—Si2—Ba258.8 (12)
O12i—Ba2—O5iv142.6 (11)O11—Si2—Ba249.6 (17)
O10ii—Ba2—O5iv57.9 (8)O12—Si2—Ba2135.6 (18)
OW1—Ba2—O5iv120.4 (11)O1—Si2—Ba2117.1 (12)
O7i—Ba2—O2145.3 (11)Sr1—Si2—Ba270.77 (13)
O10—Ba2—O2118.7 (9)Ba1—Si2—Ba270.77 (13)
O5—Ba2—O278.8 (10)O2—Si2—Sr258.8 (12)
O11—Ba2—O251.8 (7)O11—Si2—Sr249.6 (17)
O12i—Ba2—O2115.0 (9)O12—Si2—Sr2135.6 (18)
O10ii—Ba2—O253.1 (8)O1—Si2—Sr2117.1 (12)
OW1—Ba2—O268.3 (5)Sr1—Si2—Sr270.77 (13)
O5iv—Ba2—O2102.4 (9)Ba1—Si2—Sr270.77 (13)
O7i—Ba2—O357.0 (10)Ba2—Si2—Sr20.00 (16)
O10—Ba2—O3142.5 (8)O2—Si2—Sr1vi114.7 (11)
O5—Ba2—O354.4 (9)O11—Si2—Sr1vi137 (2)
O11—Ba2—O355.3 (6)O12—Si2—Sr1vi49.6 (15)
O12i—Ba2—O357.2 (6)O1—Si2—Sr1vi58.6 (13)
O10ii—Ba2—O3144.4 (8)Sr1—Si2—Sr1vi109.5 (5)
OW1—Ba2—O3119.6 (11)Ba1—Si2—Sr1vi109.5 (5)
O5iv—Ba2—O3120.1 (8)Ba2—Si2—Sr1vi171.95 (17)
O2—Ba2—O398.8 (7)Sr2—Si2—Sr1vi171.95 (17)
O7i—Ba2—O2i76.4 (10)O2—Si2—Ba1vi114.7 (11)
O10—Ba2—O2i50.6 (8)O11—Si2—Ba1vi137 (2)
O5—Ba2—O2i142.9 (9)O12—Si2—Ba1vi49.6 (15)
O11—Ba2—O2i114.1 (9)O1—Si2—Ba1vi58.6 (13)
O12i—Ba2—O2i51.0 (6)Sr1—Si2—Ba1vi109.5 (5)
O10ii—Ba2—O2i114.5 (8)Ba1—Si2—Ba1vi109.5 (5)
OW1—Ba2—O2i68.5 (5)Ba2—Si2—Ba1vi171.95 (17)
O5iv—Ba2—O2i100.1 (9)Sr2—Si2—Ba1vi171.95 (17)
O2—Ba2—O2i136.8 (9)Sr1vi—Si2—Ba1vi0.00 (10)
O3—Ba2—O2i101.1 (7)O2—Si2—Sr2vi63.3 (12)
O7i—Ba2—Ti235.7 (8)O11—Si2—Sr2vi137 (2)
O10—Ba2—Ti2122.2 (6)O12—Si2—Sr2vi48.5 (15)
O5—Ba2—Ti235.6 (8)O1—Si2—Sr2vi115.8 (12)
O11—Ba2—Ti284.2 (6)Sr1—Si2—Sr2vi171.96 (16)
O12i—Ba2—Ti283.0 (6)Ba1—Si2—Sr2vi171.96 (16)
O10ii—Ba2—Ti2127.3 (6)Ba2—Si2—Sr2vi109.1 (5)
OW1—Ba2—Ti2153.9 (10)Sr2—Si2—Sr2vi109.1 (5)
O5iv—Ba2—Ti285.7 (6)Sr1vi—Si2—Sr2vi69.50 (12)
O2—Ba2—Ti2110.1 (6)Ba1vi—Si2—Sr2vi69.50 (12)
O3—Ba2—Ti234.4 (5)O2—Si2—Ba2vi63.3 (12)
O2i—Ba2—Ti2107.9 (6)O11—Si2—Ba2vi137 (2)
O7i—Sr2—O1089.2 (10)O12—Si2—Ba2vi48.5 (15)
O7i—Sr2—O566.8 (12)O1—Si2—Ba2vi115.8 (12)
O10—Sr2—O5130.9 (9)Sr1—Si2—Ba2vi171.96 (16)
O7i—Sr2—O11112.3 (10)Ba1—Si2—Ba2vi171.96 (16)
O10—Sr2—O11151.2 (9)Ba2—Si2—Ba2vi109.1 (5)
O5—Sr2—O1176.9 (11)Sr2—Si2—Ba2vi109.1 (5)
O7i—Sr2—O12i75.1 (12)Sr1vi—Si2—Ba2vi69.50 (12)
O10—Sr2—O12i101.6 (7)Ba1vi—Si2—Ba2vi69.50 (12)
O5—Sr2—O12i111.6 (8)Sr2vi—Si2—Ba2vi0.00 (11)
O11—Sr2—O12i68.0 (7)O10—Si3—O10x118 (2)
O7i—Sr2—O10ii132.6 (10)O10—Si3—O2i106.6 (14)
O10—Sr2—O10ii69.9 (11)O10x—Si3—O2i111.2 (15)
O5—Sr2—O10ii94.9 (9)O10—Si3—O2ii111.2 (15)
O11—Sr2—O10ii104.6 (7)O10x—Si3—O2ii106.6 (14)
O12i—Sr2—O10ii149.0 (8)O2i—Si3—O2ii102 (2)
O7i—Sr2—OW1143.3 (9)O10—Si3—Sr2ii51.4 (9)
O10—Sr2—OW176.6 (9)O10x—Si3—Sr2ii131.8 (11)
O5—Sr2—OW1145.5 (9)O2i—Si3—Sr2ii116.8 (12)
O11—Sr2—OW174.7 (10)O2ii—Si3—Sr2ii59.8 (11)
O12i—Sr2—OW175.0 (10)O10—Si3—Ba2ii51.4 (9)
O10ii—Sr2—OW174.0 (9)O10x—Si3—Ba2ii131.8 (11)
O7i—Sr2—O5iv75.0 (11)O2i—Si3—Ba2ii116.8 (12)
O10—Sr2—O5iv56.2 (8)O2ii—Si3—Ba2ii59.8 (11)
O5—Sr2—O5iv75.9 (11)Sr2ii—Si3—Ba2ii0.0 (2)
O11—Sr2—O5iv145.8 (11)O10—Si3—Ba2i131.8 (11)
O12i—Sr2—O5iv142.6 (11)O10x—Si3—Ba2i51.4 (9)
O10ii—Sr2—O5iv57.9 (8)O2i—Si3—Ba2i59.8 (11)
OW1—Sr2—O5iv120.4 (11)O2ii—Si3—Ba2i116.8 (12)
O7i—Sr2—O2145.3 (11)Sr2ii—Si3—Ba2i175.3 (8)
O10—Sr2—O2118.7 (9)Ba2ii—Si3—Ba2i175.3 (8)
O5—Sr2—O278.8 (10)O10—Si3—Sr2i131.8 (11)
O11—Sr2—O251.8 (7)O10x—Si3—Sr2i51.4 (9)
O12i—Sr2—O2115.0 (9)O2i—Si3—Sr2i59.8 (11)
O10ii—Sr2—O253.1 (8)O2ii—Si3—Sr2i116.8 (12)
OW1—Sr2—O268.3 (5)Sr2ii—Si3—Sr2i175.3 (8)
O5iv—Sr2—O2102.4 (9)Ba2ii—Si3—Sr2i175.3 (8)
O7i—Sr2—O357.0 (10)Ba2i—Si3—Sr2i0.00 (17)
O10—Sr2—O3142.5 (8)O10—Si3—Ba2x140.7 (12)
O5—Sr2—O354.4 (9)O10x—Si3—Ba2x43.0 (9)
O11—Sr2—O355.3 (6)O2i—Si3—Ba2x112.5 (12)
O12i—Sr2—O357.2 (6)O2ii—Si3—Ba2x64.3 (11)
O10ii—Sr2—O3144.4 (8)Sr2ii—Si3—Ba2x110.44 (13)
OW1—Sr2—O3119.6 (11)Ba2ii—Si3—Ba2x110.44 (13)
O5iv—Sr2—O3120.1 (8)Ba2i—Si3—Ba2x69.35 (13)
O2—Sr2—O398.8 (7)Sr2i—Si3—Ba2x69.35 (13)
O7i—Sr2—O2i76.4 (10)O10—Si3—Sr2x140.7 (12)
O10—Sr2—O2i50.6 (8)O10x—Si3—Sr2x43.0 (9)
O5—Sr2—O2i142.9 (9)O2i—Si3—Sr2x112.5 (12)
O11—Sr2—O2i114.1 (9)O2ii—Si3—Sr2x64.3 (11)
O12i—Sr2—O2i51.0 (6)Sr2ii—Si3—Sr2x110.44 (13)
O10ii—Sr2—O2i114.5 (8)Ba2ii—Si3—Sr2x110.44 (13)
OW1—Sr2—O2i68.5 (5)Ba2i—Si3—Sr2x69.35 (13)
O5iv—Sr2—O2i100.1 (9)Sr2i—Si3—Sr2x69.35 (13)
O2—Sr2—O2i136.8 (9)Ba2x—Si3—Sr2x0.00 (16)
O3—Sr2—O2i101.1 (7)O10—Si3—Sr243.0 (9)
O7i—Sr2—Ti235.7 (8)O10x—Si3—Sr2140.7 (12)
O10—Sr2—Ti2122.2 (6)O2i—Si3—Sr264.3 (11)
O5—Sr2—Ti235.6 (8)O2ii—Si3—Sr2112.5 (12)
O11—Sr2—Ti284.2 (6)Sr2ii—Si3—Sr269.35 (13)
O12i—Sr2—Ti283.0 (6)Ba2ii—Si3—Sr269.35 (13)
O10ii—Sr2—Ti2127.3 (6)Ba2i—Si3—Sr2110.44 (13)
OW1—Sr2—Ti2153.9 (10)Sr2i—Si3—Sr2110.44 (13)
O5iv—Sr2—Ti285.7 (6)Ba2x—Si3—Sr2175.3 (7)
O2—Sr2—Ti2110.1 (6)Sr2x—Si3—Sr2175.3 (7)
O3—Sr2—Ti234.4 (5)O10—Si3—Ba243.0 (9)
O2i—Sr2—Ti2107.9 (6)O10x—Si3—Ba2140.7 (12)
O3v—Ti1—O391.4 (19)O2i—Si3—Ba264.3 (11)
O3v—Ti1—O1187.5 (16)O2ii—Si3—Ba2112.5 (12)
O3—Ti1—O1192.0 (16)Sr2ii—Si3—Ba269.35 (13)
O3v—Ti1—O11v92.0 (16)Ba2ii—Si3—Ba269.35 (13)
O3—Ti1—O11v87.5 (16)Ba2i—Si3—Ba2110.44 (13)
O11—Ti1—O11v179 (4)Sr2i—Si3—Ba2110.44 (13)
O3v—Ti1—O4172.9 (15)Ba2x—Si3—Ba2175.3 (7)
O3—Ti1—O483.7 (6)Sr2x—Si3—Ba2175.3 (7)
O11—Ti1—O487.5 (13)Sr2—Si3—Ba20.00 (17)
O11v—Ti1—O493.0 (14)Si2—O1—Si1vi154 (2)
O3v—Ti1—O4v83.7 (6)Si2—O1—Sr194.1 (14)
O3—Ti1—O4v172.9 (15)Si1vi—O1—Sr193.0 (14)
O11—Ti1—O4v93.0 (14)Si2—O1—Ba194.1 (14)
O11v—Ti1—O4v87.5 (13)Si1vi—O1—Ba193.0 (14)
O4—Ti1—O4v101.5 (16)Sr1—O1—Ba10.0 (2)
O3v—Ti1—Ti3vi43.8 (9)Si2—O1—Ba1vi95.0 (14)
O3—Ti1—Ti3vi135.2 (14)Si1vi—O1—Ba1vi93.8 (14)
O11—Ti1—Ti3vi86.9 (5)Sr1—O1—Ba1vi144.5 (11)
O11v—Ti1—Ti3vi93.1 (5)Ba1—O1—Ba1vi144.5 (11)
O4—Ti1—Ti3vi140.8 (13)Si2—O1—Sr1vi95.0 (14)
O4v—Ti1—Ti3vi40.2 (8)Si1vi—O1—Sr1vi93.8 (14)
O3v—Ti1—Ti3135.2 (14)Sr1—O1—Sr1vi144.5 (11)
O3—Ti1—Ti343.8 (9)Ba1—O1—Sr1vi144.5 (11)
O11—Ti1—Ti393.1 (5)Ba1vi—O1—Sr1vi0.0 (2)
O11v—Ti1—Ti386.9 (5)Si2—O2—Si3vi168 (2)
O4—Ti1—Ti340.2 (8)Si2—O2—Sr294.8 (13)
O4v—Ti1—Ti3140.8 (13)Si3vi—O2—Sr293.3 (13)
Ti3vi—Ti1—Ti3179.0 (14)Si2—O2—Ba294.8 (13)
O3v—Ti1—Sr1v95.7 (9)Si3vi—O2—Ba293.3 (13)
O3—Ti1—Sr1v128.0 (9)Sr2—O2—Ba20.00 (18)
O11—Ti1—Sr1v139.6 (15)Si2—O2—Ba2vi90.7 (13)
O11v—Ti1—Sr1v41.0 (14)Si3vi—O2—Ba2vi89.1 (12)
O4—Ti1—Sr1v91.3 (9)Sr2—O2—Ba2vi136.8 (9)
O4v—Ti1—Sr1v47.8 (7)Ba2—O2—Ba2vi136.8 (9)
Ti3vi—Ti1—Sr1v69.1 (3)Si2—O2—Sr2vi90.7 (13)
Ti3—Ti1—Sr1v111.4 (4)Si3vi—O2—Sr2vi89.1 (12)
O3v—Ti1—Ba1v95.7 (9)Sr2—O2—Sr2vi136.8 (9)
O3—Ti1—Ba1v128.0 (9)Ba2—O2—Sr2vi136.8 (9)
O11—Ti1—Ba1v139.6 (15)Ba2vi—O2—Sr2vi0.0 (2)
O11v—Ti1—Ba1v41.0 (14)Ti1—O3—Ti2137.3 (16)
O4—Ti1—Ba1v91.3 (9)Ti1—O3—Ti396.2 (12)
O4v—Ti1—Ba1v47.8 (7)Ti2—O3—Ti3125.9 (15)
Ti3vi—Ti1—Ba1v69.1 (3)Ti1—O3—Ba2100.8 (11)
Ti3—Ti1—Ba1v111.4 (4)Ti2—O3—Ba281.9 (9)
Sr1v—Ti1—Ba1v0.00 (13)Ti3—O3—Ba297.8 (11)
O3v—Ti1—Sr1128.0 (9)Ti1—O3—Sr2100.8 (11)
O3—Ti1—Sr195.7 (9)Ti2—O3—Sr281.9 (9)
O11—Ti1—Sr141.0 (14)Ti3—O3—Sr297.8 (11)
O11v—Ti1—Sr1139.6 (15)Ba2—O3—Sr20.0 (2)
O4—Ti1—Sr147.8 (7)Ti3—O4—Ti197.2 (11)
O4v—Ti1—Sr191.3 (9)Ti3—O4—Ti4134.4 (13)
Ti3vi—Ti1—Sr1111.4 (4)Ti1—O4—Ti4123.4 (14)
Ti3—Ti1—Sr169.1 (3)Ti3—O4—Sr1106.9 (10)
Sr1v—Ti1—Sr1118.3 (6)Ti1—O4—Sr1102.7 (8)
Ba1v—Ti1—Sr1118.3 (6)Ti4—O4—Sr185.3 (8)
O3v—Ti1—Ba1128.0 (9)Ti3—O4—Ba1106.9 (10)
O3—Ti1—Ba195.7 (9)Ti1—O4—Ba1102.7 (8)
O11—Ti1—Ba141.0 (14)Ti4—O4—Ba185.3 (8)
O11v—Ti1—Ba1139.6 (15)Sr1—O4—Ba10.00 (16)
O4—Ti1—Ba147.8 (7)Ti2v—O5—Ti2102.7 (15)
O4v—Ti1—Ba191.3 (9)Ti2v—O5—Ba2146.5 (18)
Ti3vi—Ti1—Ba1111.4 (4)Ti2—O5—Ba294.7 (14)
Ti3—Ti1—Ba169.1 (3)Ti2v—O5—Sr2146.5 (18)
Sr1v—Ti1—Ba1118.3 (6)Ti2—O5—Sr294.7 (14)
Ba1v—Ti1—Ba1118.3 (6)Ba2—O5—Sr20.0 (2)
Sr1—Ti1—Ba10.00 (16)Ti2v—O5—Ba2iv100.5 (15)
O5v—Ti2—O7v110.1 (15)Ti2—O5—Ba2iv101.0 (13)
O5v—Ti2—O10vii92.4 (14)Ba2—O5—Ba2iv104.1 (11)
O7v—Ti2—O10vii89.9 (16)Sr2—O5—Ba2iv104.1 (11)
O5v—Ti2—O391.6 (15)Ti2v—O5—Sr2iv100.5 (15)
O7v—Ti2—O395.3 (16)Ti2—O5—Sr2iv101.0 (13)
O10vii—Ti2—O3171.9 (13)Ba2—O5—Sr2iv104.1 (11)
O5v—Ti2—O577.3 (15)Sr2—O5—Sr2iv104.1 (11)
O7v—Ti2—O5172.6 (17)Ba2iv—O5—Sr2iv0.0 (2)
O10vii—Ti2—O589.8 (13)Ti4v—O6—Ti492.8 (11)
O3—Ti2—O584.2 (13)Ti4v—O6—Ba1143.9 (14)
O5v—Ti2—O7i167.2 (17)Ti4—O6—Ba195.3 (11)
O7v—Ti2—O7i82.7 (16)Ti4v—O6—Sr1143.9 (14)
O10vii—Ti2—O7i87.5 (15)Ti4—O6—Sr195.3 (11)
O3—Ti2—O7i87.0 (15)Ba1—O6—Sr10.0 (2)
O5—Ti2—O7i89.8 (15)Ti4v—O6—Ba1iii103.0 (11)
O5v—Ti2—Ti2viii154.3 (12)Ti4—O6—Ba1iii102.9 (10)
O7v—Ti2—Ti2viii44.2 (12)Ba1—O6—Ba1iii109.3 (9)
O10vii—Ti2—Ti2viii87.0 (10)Sr1—O6—Ba1iii109.3 (9)
O3—Ti2—Ti2viii92.4 (9)Ti4v—O6—Sr1iii103.0 (11)
O5—Ti2—Ti2viii128.3 (12)Ti4—O6—Sr1iii102.9 (10)
O7i—Ti2—Ti2viii38.5 (10)Ba1—O6—Sr1iii109.3 (9)
O5v—Ti2—Ti2v42.2 (11)Sr1—O6—Sr1iii109.3 (9)
O7v—Ti2—Ti2v152.3 (13)Ba1iii—O6—Sr1iii0.00 (17)
O10vii—Ti2—Ti2v92.4 (10)Ti2v—O7—Ti2vi97.3 (16)
O3—Ti2—Ti2v85.8 (9)Ti2v—O7—Ba2vi150 (2)
O5—Ti2—Ti2v35.1 (10)Ti2vi—O7—Ba2vi97.3 (15)
O7i—Ti2—Ti2v124.9 (12)Ti2v—O7—Sr2vi150 (2)
Ti2viii—Ti2—Ti2v163.4 (8)Ti2vi—O7—Sr2vi97.3 (15)
O5v—Ti2—Sr2121.5 (11)Ba2vi—O7—Sr2vi0.0 (2)
O7v—Ti2—Sr2123.5 (13)Ti4v—O8—Ti4vi100.0 (16)
O10vii—Ti2—Sr2108.2 (8)Ti4v—O8—Ba1vi152 (2)
O3—Ti2—Sr263.7 (9)Ti4vi—O8—Ba1vi93.7 (15)
O5—Ti2—Sr249.7 (10)Ti4v—O8—Sr1vi152 (2)
O7i—Ti2—Sr246.9 (11)Ti4vi—O8—Sr1vi93.7 (15)
Ti2viii—Ti2—Sr282.8 (4)Ba1vi—O8—Sr1vi0.0 (2)
Ti2v—Ti2—Sr281.7 (4)Si1—O9—Ti4xi122.5 (19)
O5v—Ti2—Ba2121.5 (11)Si1—O9—Sr1ii110.6 (13)
O7v—Ti2—Ba2123.5 (13)Ti4xi—O9—Sr1ii113.9 (13)
O10vii—Ti2—Ba2108.2 (8)Si1—O9—Ba1ii110.6 (13)
O3—Ti2—Ba263.7 (9)Ti4xi—O9—Ba1ii113.9 (13)
O5—Ti2—Ba249.7 (10)Sr1ii—O9—Ba1ii0.00 (15)
O7i—Ti2—Ba246.9 (11)Si1—O9—Sr1107.0 (13)
Ti2viii—Ti2—Ba282.8 (4)Ti4xi—O9—Sr1101.7 (11)
Ti2v—Ti2—Ba281.7 (4)Sr1ii—O9—Sr197.3 (10)
Sr2—Ti2—Ba20.00 (15)Ba1ii—O9—Sr197.3 (10)
O5v—Ti2—Sr2vii52.3 (11)Si1—O9—Ba1107.0 (13)
O7v—Ti2—Sr2vii93.1 (13)Ti4xi—O9—Ba1101.7 (11)
O10vii—Ti2—Sr2vii41.9 (8)Sr1ii—O9—Ba197.3 (10)
O3—Ti2—Sr2vii143.4 (10)Ba1ii—O9—Ba197.3 (10)
O5—Ti2—Sr2vii91.7 (10)Sr1—O9—Ba10.00 (18)
O7i—Ti2—Sr2vii129.4 (12)Si3—O10—Ti2xii124.0 (19)
Ti2viii—Ti2—Sr2vii117.6 (3)Si3—O10—Sr2112.7 (13)
Ti2v—Ti2—Sr2vii71.0 (3)Ti2xii—O10—Sr2108.2 (11)
Sr2—Ti2—Sr2vii135.8 (3)Si3—O10—Ba2112.7 (13)
Ba2—Ti2—Sr2vii135.8 (3)Ti2xii—O10—Ba2108.2 (11)
O5v—Ti2—Ba2vii52.3 (11)Sr2—O10—Ba20.0 (2)
O7v—Ti2—Ba2vii93.1 (13)Si3—O10—Ba2ii102.5 (12)
O10vii—Ti2—Ba2vii41.9 (8)Ti2xii—O10—Ba2ii110.1 (12)
O3—Ti2—Ba2vii143.4 (10)Sr2—O10—Ba2ii95.3 (9)
O5—Ti2—Ba2vii91.7 (10)Ba2—O10—Ba2ii95.3 (9)
O7i—Ti2—Ba2vii129.4 (12)Si3—O10—Sr2ii102.5 (12)
Ti2viii—Ti2—Ba2vii117.6 (3)Ti2xii—O10—Sr2ii110.1 (12)
Ti2v—Ti2—Ba2vii71.0 (3)Sr2—O10—Sr2ii95.3 (9)
Sr2—Ti2—Ba2vii135.8 (3)Ba2—O10—Sr2ii95.3 (9)
Ba2—Ti2—Ba2vii135.8 (3)Ba2ii—O10—Sr2ii0.0 (2)
Sr2vii—Ti2—Ba2vii0.00 (8)Si2—O11—Ti1124.8 (9)
O4—Ti3—O4viii94.8 (16)Si2—O11—Ba1106 (2)
O4—Ti3—O12i87.6 (14)Ti1—O11—Ba1110.8 (18)
O4viii—Ti3—O12i93.5 (14)Si2—O11—Sr1106 (2)
O4—Ti3—O12v93.5 (14)Ti1—O11—Sr1110.8 (18)
O4viii—Ti3—O12v87.6 (14)Ba1—O11—Sr10.0 (2)
O12i—Ti3—O12v178 (3)Si2—O11—Ba2105 (2)
O4—Ti3—O382.4 (6)Ti1—O11—Ba2111.2 (18)
O4viii—Ti3—O3173.6 (14)Ba1—O11—Ba295.2 (5)
O12i—Ti3—O392.1 (14)Sr1—O11—Ba295.2 (5)
O12v—Ti3—O386.9 (14)Si2—O11—Sr2105 (2)
O4—Ti3—O3viii173.6 (14)Ti1—O11—Sr2111.2 (18)
O4viii—Ti3—O3viii82.4 (6)Ba1—O11—Sr295.2 (5)
O12i—Ti3—O3viii86.9 (14)Sr1—O11—Sr295.2 (5)
O12v—Ti3—O3viii92.1 (14)Ba2—O11—Sr20.0 (2)
O3—Ti3—O3viii100.9 (17)Si2—O12—Ti3vi125.6 (9)
O4—Ti3—Ti142.6 (8)Si2—O12—Sr2vi106.4 (18)
O4viii—Ti3—Ti1136.4 (13)Ti3vi—O12—Sr2vi111.5 (16)
O12i—Ti3—Ti193.4 (5)Si2—O12—Ba2vi106.4 (18)
O12v—Ti3—Ti186.7 (5)Ti3vi—O12—Ba2vi111.5 (16)
O3—Ti3—Ti140.0 (9)Sr2vi—O12—Ba2vi0.0 (2)
O3viii—Ti3—Ti1141.0 (13)Si2—O12—Ba1vi105.1 (18)
O4—Ti3—Ti1i136.4 (13)Ti3vi—O12—Ba1vi110.1 (17)
O4viii—Ti3—Ti1i42.6 (8)Sr2vi—O12—Ba1vi93.1 (4)
O12i—Ti3—Ti1i86.7 (5)Ba2vi—O12—Ba1vi93.1 (4)
O12v—Ti3—Ti1i93.4 (5)Si2—O12—Sr1vi105.1 (18)
O3—Ti3—Ti1i141.0 (13)Ti3vi—O12—Sr1vi110.1 (17)
O3viii—Ti3—Ti1i40.0 (9)Sr2vi—O12—Sr1vi93.1 (4)
Ti1—Ti3—Ti1i179.0 (14)Ba2vi—O12—Sr1vi93.1 (4)
O4—Ti3—Ba1viii89.9 (8)Ba1vi—O12—Sr1vi0.0 (2)
O4viii—Ti3—Ba1viii46.0 (7)Sr1—OW1—Ba10.00 (17)
O12i—Ti3—Ba1viii139.0 (14)Sr1—OW1—Sr1ii91 (2)
O12v—Ti3—Ba1viii42.2 (13)Ba1—OW1—Sr1ii91 (2)
O3—Ti3—Ba1viii128.1 (8)Sr1—OW1—Ba1ii91 (2)
O3viii—Ti3—Ba1viii92.2 (8)Ba1—OW1—Ba1ii91 (2)
Ti1—Ti3—Ba1viii111.8 (4)Sr1ii—OW1—Ba1ii0.0 (2)
Ti1i—Ti3—Ba1viii67.7 (3)Sr1—OW1—Sr2ii178.2 (19)
O4—Ti3—Sr1viii89.9 (8)Ba1—OW1—Sr2ii178.2 (19)
O4viii—Ti3—Sr1viii46.0 (7)Sr1ii—OW1—Sr2ii90.91 (8)
O12i—Ti3—Sr1viii139.0 (14)Ba1ii—OW1—Sr2ii90.91 (8)
O12v—Ti3—Sr1viii42.2 (13)Sr1—OW1—Ba2ii178.2 (19)
O3—Ti3—Sr1viii128.1 (8)Ba1—OW1—Ba2ii178.2 (19)
O3viii—Ti3—Sr1viii92.2 (8)Sr1ii—OW1—Ba2ii90.91 (8)
Ti1—Ti3—Sr1viii111.8 (4)Ba1ii—OW1—Ba2ii90.91 (8)
Ti1i—Ti3—Sr1viii67.7 (3)Sr2ii—OW1—Ba2ii0.0 (2)
Ba1viii—Ti3—Sr1viii0.00 (9)Sr1—OW1—Sr290.91 (8)
O4—Ti3—Sr146.0 (7)Ba1—OW1—Sr290.91 (8)
O4viii—Ti3—Sr189.9 (8)Sr1ii—OW1—Sr2178.2 (19)
O12i—Ti3—Sr142.2 (13)Ba1ii—OW1—Sr2178.2 (19)
O12v—Ti3—Sr1139.0 (14)Sr2ii—OW1—Sr287.3 (19)
O3—Ti3—Sr192.2 (8)Ba2ii—OW1—Sr287.3 (19)
O3viii—Ti3—Sr1128.1 (8)Sr1—OW1—Ba290.91 (8)
Ti1—Ti3—Sr167.7 (3)Ba1—OW1—Ba290.91 (8)
Ti1i—Ti3—Sr1111.8 (4)Sr1ii—OW1—Ba2178.2 (19)
Ba1viii—Ti3—Sr1118.2 (5)Ba1ii—OW1—Ba2178.2 (19)
Sr1viii—Ti3—Sr1118.2 (5)Sr2ii—OW1—Ba287.3 (19)
O4—Ti3—Ba146.0 (7)Ba2ii—OW1—Ba287.3 (19)
O4viii—Ti3—Ba189.9 (8)Sr2—OW1—Ba20.00 (12)
Symmetry codes: (i) x+1, y, z; (ii) x, y, z1/2; (iii) x, y, z; (iv) x, y1, z; (v) x, y, z+1/2; (vi) x1, y, z; (vii) x, y1, z+1/2; (viii) x+1, y, z+1/2; (ix) x, y, z+1/2; (x) x+1, y, z1/2; (xi) x, y, z1/2; (xii) x, y1, z1/2.
 

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