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Single crystals of tris­trontium deca­aluminum silicon icosa­oxide were synthesized by local flux growth with H3BO3 as mineralizer. Lattice parameters and refinement data indicate no significant incorporation of B in the structure. Pairs of AlO6 octa­hedra are located between layers of edge-linked Al/Si-O4 tetra­hedra. The Sr1 (2/m symmetry) and Sr2 (mirror plane) sites are orientated in layers perpendicular to the layers of Al/Si-O polyhedra.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806054936/fi2023sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806054936/fi2023Isup2.hkl
Contains datablock I

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](l-O) = 0.002 Å
  • Disorder in main residue
  • R factor = 0.036
  • wR factor = 0.032
  • Data-to-parameter ratio = 11.9

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.76 PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.28 PLAT301_ALERT_3_C Main Residue Disorder ......................... 20.00 Perc.
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 1999); data reduction: Xtal3.2 (Hall et al., 1992); program(s) used to solve structure: Xtal3.2; program(s) used to refine structure: Xtal3.2; molecular graphics: Xtal3.2; software used to prepare material for publication: Xtal3.2.

tristrontium decaaluminum silicon icosaoxide top
Crystal data top
Sr3Al10SiO20F(000) = 836
Mr = 880.75Dx = 3.707 Mg m3
Monoclinic, C2/mMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yCell parameters from 4207 reflections
a = 15.1438 (18) Åθ = 2.3–30.5°
b = 11.1858 (13) ŵ = 10.86 mm1
c = 4.9018 (6) ÅT = 298 K
β = 108.137 (2)°Splinter, colourless
V = 789.09 (16) Å30.14 × 0.11 × 0.09 × 0.11 (radius) mm
Z = 2
Data collection top
Siemens SMART APEX
diffractometer
1022 reflections with I > 3σ(I)
Detector resolution: 512 pixels mm-1Rint = 0.033
ω scansθmax = 30.5°, θmin = 2.3°
Absorption correction: spherical
(Tibballs, 1982)
h = 2121
Tmin = 0.302, Tmax = 0.318k = 1515
4207 measured reflectionsl = 65
1261 independent reflections
Refinement top
Refinement on F0 restraints
Least-squares matrix: full18 constraints
R[F2 > 2σ(F2)] = 0.036
wR(F2) = 0.032(Δ/σ)max = 0.001
S = 1.70Δρmax = 1.66 e Å3
1022 reflectionsΔρmin = 1.15 e Å3
86 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Sr10.21635 (2)0.000000.73858 (8)0.00000
Sr20.000000.500000.000000.00000
Al10.13606 (4)0.21238 (6)0.16268 (14)0.00000.87500
Si10.13606 (4)0.21238 (6)0.16268 (14)0.00000.12500
Al20.35532 (4)0.13768 (6)0.34386 (15)0.00000.87500
Si20.35532 (4)0.13768 (6)0.34386 (15)0.00000.12500
Al30.000000.12868 (8)0.500000.00000
Al40.000000.000000.000000.00000
O10.08364 (10)0.24773 (13)0.4294 (3)0.00000
O20.24036 (10)0.14101 (14)0.3245 (4)0.00000
O30.35984 (10)0.14704 (14)0.0061 (3)0.00000
O40.42704 (9)0.37941 (13)0.1108 (3)0.00000
O50.06564 (13)0.000000.3873 (4)0.00000
O60.40080 (14)0.000000.4793 (5)0.00000
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sr10.01130 (15)0.01460 (18)0.0185 (2)0.000000.00227 (13)0.00000
Sr20.0118 (2)0.0189 (3)0.0135 (3)0.000000.00093 (17)0.00000
Al10.0075 (3)0.0082 (3)0.0067 (3)0.0003 (2)0.0030 (2)0.0006 (3)
Si10.0075 (3)0.0082 (3)0.0067 (3)0.0003 (2)0.0030 (2)0.0006 (3)
Al20.0081 (3)0.0072 (3)0.0073 (3)0.0007 (3)0.0024 (2)0.0006 (3)
Si20.0081 (3)0.0072 (3)0.0073 (3)0.0007 (3)0.0024 (2)0.0006 (3)
Al30.0076 (4)0.0077 (5)0.0059 (5)0.000000.0032 (4)0.00000
Al40.0077 (6)0.0078 (6)0.0063 (7)0.000000.0027 (5)0.00000
O10.0096 (7)0.0097 (8)0.0108 (8)0.0011 (6)0.0031 (6)0.0007 (7)
O20.0083 (7)0.0122 (8)0.0201 (10)0.0021 (6)0.0029 (7)0.0002 (7)
O30.0171 (8)0.0105 (8)0.0096 (9)0.0022 (6)0.0052 (6)0.0013 (7)
O40.0090 (7)0.0087 (8)0.0083 (8)0.0027 (6)0.0015 (6)0.0000 (6)
O50.0068 (9)0.0084 (11)0.0050 (11)0.000000.0012 (8)0.00000
O60.0151 (11)0.0097 (11)0.0126 (13)0.000000.0005 (9)0.00000
Geometric parameters (Å, º) top
Sr1i—O5i2.3932 (17)Al3i—O41.8856 (14)
Sr1i—O2ii2.6832 (18)Al3i—O41.8856 (14)
Sr1i—O2i2.6832 (18)Al3i—O5i1.9253 (17)
Sr1i—O32.7018 (15)Al3i—O51.9253 (17)
Sr1i—O32.7018 (15)Al3i—O11.9417 (17)
Sr1i—O42.8420 (16)Al3i—O1i1.9417 (17)
Sr1i—O42.8420 (16)Al4—O51.849 (2)
Sr1i—O23.1967 (18)Al4—O51.849 (2)
Sr1i—O23.1967 (18)Al4—O41.9259 (16)
Sr1i—O6i3.410 (3)Al4—O41.9259 (16)
Sr1i—O1ii3.4812 (14)Al4—O41.9259 (16)
Sr1i—O1i3.4812 (14)Al4—O41.9259 (16)
Sr2—O6i2.527 (2)O1i—O42.712 (2)
Sr2—O62.527 (2)O1i—O32.744 (3)
Sr2—O32.6781 (16)O1i—O5i2.7858 (15)
Sr2—O32.6781 (16)O1i—O42.7893 (19)
Sr2—O32.6781 (16)O1i—O12.826 (2)
Sr2—O32.6781 (16)O1i—O2i2.843 (2)
Sr2—O63.158 (3)O1i—O22.847 (2)
Sr2—O63.158 (3)O1i—O62.8553 (15)
Sr2i—O13.5126 (14)O1i—O32.933 (2)
Sr2i—O13.5126 (14)O1i—O42.966 (2)
Sr2i—O1iii3.5126 (14)O2i—O42.7685 (18)
Sr2i—O1i3.5126 (14)O2i—O3i2.780 (3)
Al1i—O41.7226 (15)O2i—O6i2.796 (2)
Al1i—O2i1.7267 (15)O2i—O22.946 (2)
Al1i—O31.7595 (17)O2i—O32.981 (2)
Al1i—O1i1.773 (2)O2i—O2ii3.155 (2)
Al1i—O5i2.9537 (16)O2i—O5i3.177 (2)
Si1i—O41.7226 (15)O2i—O33.217 (2)
Si1i—O2i1.7267 (15)O3—O42.785 (2)
Si1i—O31.7595 (17)O3—O62.799 (2)
Si1i—O1i1.773 (2)O3—O6i3.229 (3)
Si1i—O5i2.9537 (16)O3—O33.289 (2)
Al2—O21.7141 (17)O4—O52.508 (2)
Al2—O61.7327 (11)O4—O42.698 (2)
Al2—O31.741 (2)O4—O42.749 (2)
Al2—O1i1.7587 (15)O4—O5i2.777 (3)
Si2—O21.7141 (17)O4—O52.822 (3)
Si2—O61.7327 (11)O5i—O52.557 (3)
Si2—O31.741 (2)O6—O62.948 (3)
Si2—O1i1.7587 (15)
O5i—Sr1i—O2ii77.25 (5)Sr1i—O3—O352.50 (4)
O5i—Sr1i—O2i77.25 (5)O1—O3—O2149.76 (7)
O5i—Sr1i—O3141.50 (3)O1—O3—O464.87 (6)
O5i—Sr1i—O3141.50 (3)O1—O3—O6148.90 (8)
O5i—Sr1i—O463.40 (6)O1—O3—O1119.37 (7)
O5i—Sr1i—O463.40 (6)O1—O3—O259.38 (6)
O5i—Sr1i—O2117.56 (5)O1—O3—O2i56.39 (5)
O5i—Sr1i—O2117.56 (5)O1—O3—O6i56.41 (5)
O2ii—Sr1i—O2i72.01 (5)O1—O3—O3115.40 (7)
O2ii—Sr1i—O373.37 (5)O2—O3—O499.50 (7)
O2ii—Sr1i—O3115.43 (5)O2—O3—O660.16 (7)
O2ii—Sr1i—O4102.23 (5)O2—O3—O159.71 (6)
O2ii—Sr1i—O4140.34 (4)O2—O3—O290.40 (7)
O2ii—Sr1i—O2112.66 (5)O2—O3—O2i109.43 (6)
O2ii—Sr1i—O2164.89 (4)O2—O3—O6i139.56 (7)
O2i—Sr1i—O3115.43 (5)O2—O3—O388.61 (6)
O2i—Sr1i—O373.37 (5)O4—O3—O6113.79 (6)
O2i—Sr1i—O4140.34 (4)O4—O3—O156.55 (5)
O2i—Sr1i—O4102.23 (5)O4—O3—O257.27 (5)
O2i—Sr1i—O2164.89 (4)O4—O3—O2i106.43 (6)
O2i—Sr1i—O2112.66 (5)O4—O3—O6i119.30 (8)
O3—Sr1i—O375.00 (5)O4—O3—O3158.95 (6)
O3—Sr1i—O499.21 (5)O6—O3—O159.70 (5)
O3—Sr1i—O4137.55 (5)O6—O3—O2148.72 (9)
O3—Sr1i—O255.48 (5)O6—O3—O2i139.49 (7)
O3—Sr1i—O291.95 (4)O6—O3—O6i108.61 (6)
O3—Sr1i—O4137.55 (5)O6—O3—O354.01 (5)
O3—Sr1i—O499.21 (5)O1—O3—O297.68 (6)
O3—Sr1i—O291.95 (4)O1—O3—O2i153.41 (7)
O3—Sr1i—O255.48 (5)O1—O3—O6i152.61 (7)
O4—Sr1i—O456.67 (4)O1—O3—O3113.66 (6)
O4—Sr1i—O254.19 (4)O2—O3—O2i56.60 (5)
O4—Sr1i—O283.30 (4)O2—O3—O6i100.74 (6)
O4—Sr1i—O283.30 (4)O2—O3—O3142.69 (6)
O4—Sr1i—O254.19 (4)O2i—O3—O6i51.42 (5)
O2—Sr1i—O259.13 (4)O2i—O3—O388.80 (5)
O6i—Sr2—O6180.0000O6i—O3—O359.38 (5)
O6i—Sr2—O3103.37 (6)Al1—O4—Al3140.10 (9)
O6i—Sr2—O3103.37 (6)Al1—O4—Al4115.20 (9)
O6i—Sr2—O376.63 (5)Al1—O4—O5155.40 (11)
O6i—Sr2—O376.63 (5)Al1—O4—O4126.59 (7)
O6i—Sr2—O6118.72 (7)Al1—O4—O1ii99.91 (7)
O6i—Sr2—O661.28 (7)Al1—O4—O490.67 (8)
O6—Sr2—O376.63 (6)Al1—O4—O5i146.98 (10)
O6—Sr2—O376.63 (6)Al1—O4—O1107.50 (7)
O6—Sr2—O3103.37 (5)Al1—O4—O576.88 (6)
O6—Sr2—O3103.37 (5)Al1—O4—Sr1i101.63 (6)
O6—Sr2—O661.28 (7)Al3—O4—Al496.43 (6)
O6—Sr2—O6118.72 (7)Al3—O4—O549.53 (6)
O3—Sr2—O375.78 (5)Al3—O4—O492.75 (7)
O3—Sr2—O3104.22 (5)Al3—O4—O1ii45.73 (5)
O3—Sr2—O3180.0000Al3—O4—O496.31 (6)
O3—Sr2—O6123.41 (4)Al3—O4—O2152.06 (9)
O3—Sr2—O656.59 (4)Al3—O4—O5i43.78 (5)
O3—Sr2—O3180.0000Al3—O4—O3103.00 (7)
O3—Sr2—O3104.22 (5)Al3—O4—O144.01 (5)
O3—Sr2—O6123.41 (5)Al3—O4—O5136.87 (8)
O3—Sr2—O656.59 (4)Al3—O4—Sr1i90.83 (6)
O3—Sr2—O375.78 (5)Al3—O4—O1137.07 (8)
O3—Sr2—O656.59 (4)Al4—O4—O547.05 (5)
O3—Sr2—O6123.41 (4)Al4—O4—O445.54 (5)
O3—Sr2—O656.59 (4)Al4—O4—O1ii142.15 (7)
O3—Sr2—O6123.41 (4)Al4—O4—O444.46 (5)
O6—Sr2—O6180.0000Al4—O4—O2107.97 (7)
O4—Al1i—O2i106.76 (8)Al4—O4—O5i92.38 (6)
O4—Al1i—O3106.23 (8)Al4—O4—O3143.18 (9)
O4—Al1i—O1i116.10 (8)Al4—O4—O193.01 (6)
O4—Al1i—O5i68.51 (7)Al4—O4—Sr1i107.02 (6)
O2i—Al1i—O3117.52 (8)Al4—O4—O187.74 (7)
O2i—Al1i—O1i108.66 (8)O5—O4—O457.47 (5)
O2i—Al1i—O5i80.89 (7)O5—O4—O1ii95.13 (7)
O3—Al1i—O1i101.96 (8)O5—O4—O464.73 (7)
O3—Al1i—O5i161.33 (7)O5—O4—O2150.73 (7)
O1i—Al1i—O5i66.91 (6)O5—O4—O5i57.60 (7)
O4—Si1i—O2i106.76 (8)O5—O4—O3143.49 (6)
O4—Si1i—O3106.23 (8)O5—O4—O163.19 (5)
O4—Si1i—O1i116.10 (8)O5—O4—O587.64 (7)
O4—Si1i—O5i68.51 (7)O5—O4—Sr1i100.54 (7)
O2i—Si1i—O3117.52 (8)O5—O4—O1122.97 (9)
O2i—Si1i—O1i108.66 (8)O4—O4—O1ii121.63 (8)
O2i—Si1i—O5i80.89 (7)O4—O4—O490.00 (7)
O3—Si1i—O1i101.96 (8)O4—O4—O294.73 (6)
O3—Si1i—O5i161.33 (7)O4—O4—O5i60.94 (5)
O1i—Si1i—O5i66.91 (6)O4—O4—O3158.95 (7)
O2—Al2—O6108.44 (10)O4—O4—O1120.66 (6)
O2—Al2—O3107.15 (8)O4—O4—O561.45 (5)
O2—Al2—O1i110.13 (9)O4—O4—Sr1i61.67 (5)
O6—Al2—O3107.35 (10)O4—O4—O1118.66 (7)
O6—Al2—O1i109.73 (8)O1ii—O4—O4126.27 (7)
O3—Al2—O1i113.87 (8)O1ii—O4—O2108.67 (7)
O2—Si2—O6108.44 (10)O1ii—O4—O5i60.99 (5)
O2—Si2—O3107.15 (8)O1ii—O4—O364.47 (6)
O2—Si2—O1i110.13 (9)O1ii—O4—O161.81 (6)
O6—Si2—O3107.35 (10)O1ii—O4—O5176.70 (7)
O6—Si2—O1i109.73 (8)O1ii—O4—Sr1i77.59 (6)
O3—Si2—O1i113.87 (8)O1ii—O4—O1119.32 (7)
O4—Al3i—O4174.50 (8)O4—O4—O2110.56 (7)
O4—Al3i—O5i82.31 (7)O4—O4—O5i122.32 (7)
O4—Al3i—O593.56 (8)O4—O4—O3101.88 (7)
O4—Al3i—O190.22 (6)O4—O4—O164.75 (6)
O4—Al3i—O1i93.56 (7)O4—O4—O553.49 (6)
O4—Al3i—O5i93.56 (8)O4—O4—Sr1i151.13 (7)
O4—Al3i—O582.31 (7)O4—O4—O158.28 (5)
O4—Al3i—O193.56 (7)O2—O4—O5i119.82 (8)
O4—Al3i—O1i90.22 (7)O2—O4—O364.92 (5)
O5i—Al3i—O583.23 (8)O2—O4—O1143.55 (7)
O5i—Al3i—O1170.94 (7)O2—O4—O569.25 (6)
O5i—Al3i—O1i92.18 (7)O2—O4—Sr1i69.45 (5)
O5—Al3i—O192.18 (7)O2—O4—O159.32 (5)
O5—Al3i—O1i170.94 (6)O5i—O4—O3123.15 (8)
O1—Al3i—O1i93.40 (8)O5i—O4—O187.66 (6)
O5—Al4—O5180.0000O5i—O4—O5122.20 (6)
O5—Al4—O496.75 (6)O5i—O4—Sr1i50.40 (5)
O5—Al4—O483.25 (6)O5i—O4—O1179.12 (8)
O5—Al4—O483.25 (6)O3—O4—O180.32 (6)
O5—Al4—O496.75 (6)O3—O4—O5112.23 (7)
O5—Al4—O483.25 (6)O3—O4—Sr1i103.69 (6)
O5—Al4—O496.75 (6)O3—O4—O156.90 (6)
O5—Al4—O496.75 (6)O1—O4—O5118.20 (8)
O5—Al4—O483.25 (6)O1—O4—Sr1i132.98 (7)
O4—Al4—O491.09 (7)O1—O4—O193.21 (6)
O4—Al4—O4180.0000O5—O4—Sr1i103.70 (6)
O4—Al4—O488.91 (7)O5—O4—O157.48 (5)
O4—Al4—O488.91 (7)Sr1i—O4—O1128.74 (5)
O4—Al4—O4180.0000Al4i—O5i—Al3i97.70 (6)
O4—Al4—O491.09 (7)Al4i—O5i—Al397.70 (6)
Si2—O1i—Al20.00 (10)Al4i—O5i—Sr1i145.72 (12)
Si2—O1i—Si1i111.14 (9)Al4i—O5i—O449.69 (5)
Si2—O1i—Al1i111.14 (9)Al4i—O5i—O449.69 (5)
Si2—O1i—Al3i129.13 (10)Al4i—O5i—O5101.64 (9)
Si2—O1i—O490.73 (7)Al4i—O5i—O4140.36 (7)
Si2—O1i—O386.49 (7)Al4i—O5i—O4140.36 (7)
Si2—O1i—O5i142.36 (8)Al4i—O5i—O1ii94.88 (5)
Si2—O1i—O4155.99 (9)Al4i—O5i—O1i94.88 (5)
Si2—O1i—O1100.38 (8)Al4i—O5i—O442.67 (5)
Si2—O1i—O2i96.67 (7)Al4i—O5i—O442.67 (5)
Si2—O1i—O234.42 (5)Al4i—O5i—Al1ii76.01 (6)
Si2—O1i—O634.83 (5)Al4i—O5i—Si1i76.01 (6)
Si2—O1i—O332.88 (5)Al4i—O5i—Al1i76.01 (6)
Si2—O1i—O4141.77 (9)Al4i—O5i—O2ii95.64 (9)
Al2—O1i—Si1i111.14 (9)Al4i—O5i—O2i95.64 (9)
Al2—O1i—Al1i111.14 (9)Al3i—O5i—Al396.77 (10)
Al2—O1i—Al3i129.13 (10)Al3i—O5i—Sr1i104.81 (7)
Al2—O1i—O490.73 (7)Al3i—O5i—O497.88 (8)
Al2—O1i—O386.49 (7)Al3i—O5i—O448.16 (5)
Al2—O1i—O5i142.36 (8)Al3i—O5i—O548.38 (5)
Al2—O1i—O4155.99 (9)Al3i—O5i—O442.66 (5)
Al2—O1i—O1100.38 (8)Al3i—O5i—O489.48 (9)
Al2—O1i—O2i96.67 (7)Al3i—O5i—O1ii140.33 (11)
Al2—O1i—O234.42 (5)Al3i—O5i—O493.08 (5)
Al2—O1i—O634.83 (5)Al3i—O5i—O4140.22 (8)
Al2—O1i—O332.88 (5)Al3i—O5i—Al1ii170.68 (8)
Al2—O1i—O4141.77 (9)Al3i—O5i—Si1i77.54 (3)
Si1i—O1i—Al3i116.43 (8)Al3i—O5i—Al1i77.54 (3)
Si1i—O1i—O4130.71 (8)Al3i—O5i—O2ii156.78 (7)
Si1i—O1i—O5i77.26 (7)Al3i—O5i—O2i100.17 (5)
Si1i—O1i—O488.35 (7)Al3—O5i—Sr1i104.81 (7)
Si1i—O1i—O1145.27 (7)Al3—O5i—O448.16 (5)
Si1i—O1i—O280.50 (7)Al3—O5i—O497.88 (8)
Si1i—O1i—O6107.58 (9)Al3—O5i—O548.38 (5)
Si1i—O1i—O3137.48 (8)Al3—O5i—O489.48 (9)
Al1i—O1i—Al3i116.43 (8)Al3—O5i—O442.66 (5)
Al1i—O1i—O4130.71 (8)Al3—O5i—O1ii44.15 (4)
Al1i—O1i—O5i77.26 (7)Al3—O5i—O1i140.33 (11)
Al1i—O1i—O488.35 (7)Al3—O5i—O4140.22 (8)
Al1i—O1i—O1145.27 (7)Al3—O5i—O493.08 (5)
Al1i—O1i—O280.50 (7)Al3—O5i—Al1ii77.54 (3)
Al1i—O1i—O6107.58 (9)Al3—O5i—Si1i170.68 (8)
Al1i—O1i—O3137.48 (8)Al3—O5i—Al1i170.68 (8)
Al3i—O1i—O3143.44 (7)Al3—O5i—O2ii100.17 (4)
Al3i—O1i—O143.30 (5)Al3—O5i—O2i156.78 (7)
Al3i—O1i—O2i111.83 (7)Sr1i—O5i—O4147.04 (4)
Al3i—O1i—O2143.21 (8)Sr1i—O5i—O4147.04 (4)
Al3i—O1i—O6132.57 (9)Sr1i—O5i—O5112.63 (9)
Al3i—O1i—O396.57 (7)Sr1i—O5i—O466.21 (5)
Al3i—O1i—O488.45 (6)Sr1i—O5i—O466.21 (5)
O4—O1i—O3165.17 (7)Sr1i—O5i—O1ii84.10 (4)
O4—O1i—O5i60.67 (6)Sr1i—O5i—O1i84.10 (4)
O4—O1i—O486.42 (6)Sr1i—O5i—O4109.69 (8)
O4—O1i—O160.44 (6)Sr1i—O5i—O4109.69 (8)
O4—O1i—O2i101.49 (6)Sr1i—O5i—Al1ii83.92 (5)
O4—O1i—O299.63 (6)Sr1i—O5i—Si1i83.92 (5)
O4—O1i—O6114.30 (8)Sr1i—O5i—Al1i83.92 (5)
O4—O1i—O358.98 (5)Sr1i—O5i—O2ii55.47 (5)
O4—O1i—O4119.32 (6)Sr1i—O5i—O2i55.47 (5)
O3—O1i—O5i114.65 (8)O4—O5i—O465.07 (6)
O3—O1i—O4101.91 (7)O4—O5i—O566.49 (7)
O3—O1i—O1134.39 (7)O4—O5i—O4122.40 (10)
O3—O1i—O2i64.46 (6)O4—O5i—O490.77 (7)
O3—O1i—O270.22 (6)O4—O5i—O1ii63.33 (4)
O3—O1i—O670.40 (7)O4—O5i—O1i128.40 (7)
O3—O1i—O3119.37 (7)O4—O5i—O492.36 (8)
O3—O1i—O458.24 (6)O4—O5i—O461.78 (6)
O5i—O1i—O453.47 (5)O4—O5i—Al1ii72.82 (5)
O5i—O1i—O186.77 (7)O4—O5i—Si1i124.72 (8)
O5i—O1i—O2i68.71 (6)O4—O5i—Al1i124.72 (8)
O5i—O1i—O2121.55 (7)O4—O5i—O2ii105.24 (6)
O5i—O1i—O6174.91 (10)O4—O5i—O2i142.83 (10)
O5i—O1i—O3117.59 (8)O4—O5i—O566.49 (7)
O5i—O1i—O458.67 (6)O4—O5i—O490.77 (7)
O4—O1i—O157.75 (6)O4—O5i—O4122.40 (10)
O4—O1i—O2i107.27 (7)O4—O5i—O1ii128.40 (7)
O4—O1i—O2168.74 (9)O4—O5i—O1i63.33 (4)
O4—O1i—O6127.30 (7)O4—O5i—O461.78 (6)
O4—O1i—O3133.35 (8)O4—O5i—O492.36 (8)
O4—O1i—O456.98 (5)O4—O5i—Al1ii124.72 (8)
O1—O1i—O2i155.05 (7)O4—O5i—Si1i72.82 (5)
O1—O1i—O2133.51 (8)O4—O5i—Al1i72.82 (5)
O1—O1i—O689.90 (7)O4—O5i—O2ii142.83 (10)
O1—O1i—O377.23 (6)O4—O5i—O2i105.24 (6)
O1—O1i—O4114.50 (6)O5—O5i—O455.91 (6)
O2i—O1i—O262.36 (6)O5—O5i—O455.91 (6)
O2i—O1i—O6114.23 (8)O5—O5i—O1ii92.25 (6)
O2i—O1i—O3109.47 (6)O5—O5i—O1i92.25 (6)
O2i—O1i—O456.88 (5)O5—O5i—O4128.25 (7)
O2—O1i—O658.73 (6)O5—O5i—O4128.25 (7)
O2—O1i—O357.48 (6)O5—O5i—Al1ii125.48 (4)
O2—O1i—O4111.81 (7)O5—O5i—Si1i125.48 (4)
O6—O1i—O357.81 (6)O5—O5i—Al1i125.48 (4)
O6—O1i—O4126.35 (8)O5—O5i—O2ii145.57 (6)
O3—O1i—O4166.29 (7)O5—O5i—O2i145.57 (6)
Al2i—O2i—Si1i143.47 (12)O4—O5i—O458.12 (6)
Al2i—O2i—Al1i143.47 (12)O4—O5i—O1ii116.20 (8)
Al2i—O2i—Sr1i108.65 (7)O4—O5i—O1i58.35 (5)
Al2i—O2i—O4135.35 (10)O4—O5i—O4122.20 (4)
Al2i—O2i—O1i152.85 (9)O4—O5i—O4175.65 (9)
Al2i—O2i—O294.10 (7)O4—O5i—Al1ii143.26 (7)
Al2i—O2i—O3112.89 (9)O4—O5i—Si1i91.15 (4)
Al2i—O2i—O2ii88.75 (7)O4—O5i—Al1i91.15 (4)
Al2i—O2i—O5i147.78 (8)O4—O5i—O2ii121.48 (7)
Al2i—O2i—Sr182.44 (7)O4—O5i—O2i92.29 (6)
Al2i—O2i—O372.84 (6)O4—O5i—O1ii58.35 (5)
Si1i—O2i—Sr1i107.41 (8)O4—O5i—O1i116.20 (8)
Si1i—O2i—O436.57 (5)O4—O5i—O4175.65 (9)
Si1i—O2i—O3i112.91 (9)O4—O5i—O4122.20 (4)
Si1i—O2i—O6i168.18 (10)O4—O5i—Al1ii91.15 (4)
Si1i—O2i—O1126.47 (8)O4—O5i—Si1i143.26 (6)
Si1i—O2i—O278.22 (7)O4—O5i—Al1i143.26 (6)
Si1i—O2i—O331.57 (5)O4—O5i—O2ii92.29 (6)
Si1i—O2i—O2ii117.54 (7)O4—O5i—O2i121.48 (7)
Si1i—O2i—O5i66.65 (6)O1ii—O5i—O1i168.21 (8)
Si1i—O2i—Sr189.05 (6)O1ii—O5i—O4120.68 (8)
Si1i—O2i—O3127.05 (9)O1ii—O5i—O463.85 (5)
Al1i—O2i—Sr1i107.41 (8)O1ii—O5i—Si1i142.12 (9)
Al1i—O2i—O436.57 (5)O1ii—O5i—Al1i142.12 (9)
Al1i—O2i—O3i112.91 (9)O1ii—O5i—O2ii56.50 (5)
Al1i—O2i—O6i168.18 (10)O1ii—O5i—O2i115.84 (7)
Al1i—O2i—O1126.47 (8)O1i—O5i—O463.85 (5)
Al1i—O2i—O278.22 (7)O1i—O5i—O4120.68 (8)
Al1i—O2i—O331.57 (5)O1i—O5i—Al1ii142.12 (9)
Al1i—O2i—O2ii117.54 (7)O1i—O5i—O2ii115.84 (7)
Al1i—O2i—O5i66.65 (6)O1i—O5i—O2i56.50 (5)
Al1i—O2i—Sr189.05 (6)O4—O5i—O457.11 (6)
Al1i—O2i—O3127.05 (9)O4—O5i—Al1ii86.89 (7)
Sr1i—O2i—O4103.14 (6)O4—O5i—Si1i34.61 (4)
Sr1i—O2i—O3i136.15 (7)O4—O5i—Al1i34.61 (4)
Sr1i—O2i—O6i76.94 (6)O4—O5i—O2ii83.98 (7)
Sr1i—O2i—O1i78.03 (6)O4—O5i—O2i54.58 (5)
Sr1i—O2i—O1105.42 (6)O4—O5i—Al1ii34.61 (4)
Sr1i—O2i—O293.26 (7)O4—O5i—Si1i86.89 (7)
Sr1i—O2i—O3134.18 (7)O4—O5i—Al1i86.89 (7)
Sr1i—O2i—O2ii53.99 (5)O4—O5i—O2ii54.58 (5)
Sr1i—O2i—Sr1112.66 (5)O4—O5i—O2i83.98 (7)
Sr1i—O2i—O353.58 (4)Al1ii—O5i—Si1i107.08 (8)
O4—O2i—O3i99.13 (7)Al1ii—O5i—Al1i107.08 (8)
O4—O2i—O6i132.25 (8)Al1ii—O5i—O2i87.42 (7)
O4—O2i—O1i63.80 (5)Al1i—O5i—O2ii87.42 (7)
O4—O2i—O1150.98 (8)O2ii—O5i—O2i59.54 (6)
O4—O2i—O2114.77 (7)Al2—O6—Si2125.45 (12)
O4—O2i—O357.81 (5)Al2—O6—Al2125.45 (12)
O4—O2i—O2ii85.27 (5)Al2—O6—Sr2i115.31 (7)
O4—O2i—O5i56.17 (6)Al2—O6—O2100.91 (9)
O4—O2i—Sr156.36 (5)Al2—O6—O235.56 (6)
O4—O2i—O3151.31 (8)Al2—O6—O3103.89 (10)
O3i—O2i—O6i60.25 (7)Al2—O6—O336.43 (6)
O3i—O2i—O1i145.76 (8)Al2—O6—O135.44 (4)
O3i—O2i—O162.81 (6)Al2—O6—O1i160.39 (10)
O3i—O2i—O2110.87 (7)Al2—O6—O6107.55 (9)
O3i—O2i—O389.60 (7)Al2—O6—Sr286.52 (9)
O3i—O2i—O2ii91.39 (7)Al2—O6—O3127.01 (12)
O3i—O2i—O5i141.39 (7)Al2—O6—O372.33 (7)
O3i—O2i—Sr153.20 (4)Si2—O6—Al20.00 (7)
O3i—O2i—O3109.43 (6)Si2—O6—Sr2i115.31 (7)
O6i—O2i—O1i153.07 (9)Si2—O6—O235.56 (6)
O6i—O2i—O160.78 (5)Si2—O6—O2100.91 (9)
O6i—O2i—O2112.87 (6)Si2—O6—O336.43 (6)
O6i—O2i—O3148.04 (9)Si2—O6—O3103.89 (10)
O6i—O2i—O2ii55.66 (4)Si2—O6—O1160.39 (10)
O6i—O2i—O5i111.91 (7)Si2—O6—O1i35.44 (4)
O6i—O2i—Sr179.15 (6)Si2—O6—O6107.55 (9)
O6i—O2i—O364.52 (6)Si2—O6—Sr286.52 (9)
O1i—O2i—O1117.64 (7)Si2—O6—O372.33 (7)
O1i—O2i—O258.89 (5)Si2—O6—O3127.01 (12)
O1i—O2i—O356.16 (5)Al2—O6—Sr2i115.31 (7)
O1i—O2i—O2ii114.83 (7)Al2—O6—O235.56 (6)
O1i—O2i—O5i54.79 (5)Al2—O6—O2100.91 (9)
O1i—O2i—Sr1120.12 (5)Al2—O6—O336.43 (6)
O1i—O2i—O392.45 (7)Al2—O6—O3103.89 (10)
O1—O2i—O258.75 (5)Al2—O6—O1160.39 (10)
O1—O2i—O397.53 (6)Al2—O6—O1i35.44 (4)
O1—O2i—O2ii115.92 (6)Al2—O6—O6107.55 (9)
O1—O2i—O5i150.94 (8)Al2—O6—Sr286.52 (9)
O1—O2i—Sr1115.21 (7)Al2—O6—O372.33 (7)
O1—O2i—O353.39 (5)Al2—O6—O3127.01 (12)
O2—O2i—O365.75 (5)Sr2i—O6—O2117.86 (9)
O2—O2i—O2ii145.86 (8)Sr2i—O6—O2117.86 (9)
O2—O2i—O5i106.76 (7)Sr2i—O6—O3139.78 (5)
O2—O2i—Sr1153.64 (7)Sr2i—O6—O3139.78 (5)
O2—O2i—O357.65 (5)Sr2i—O6—O181.23 (5)
O3—O2i—O2ii142.69 (6)Sr2i—O6—O1i81.23 (5)
O3—O2i—O5i98.17 (5)Sr2i—O6—O669.98 (7)
O3—O2i—Sr191.43 (5)Sr2i—O6—Sr2118.72 (8)
O3—O2i—O3123.40 (7)Sr2i—O6—O353.79 (5)
O2ii—O2i—O5i60.23 (5)Sr2i—O6—O353.79 (5)
O2ii—O2i—Sr160.43 (4)O2—O6—O268.68 (7)
O2ii—O2i—O391.20 (6)O2—O6—O359.59 (6)
O5i—O2i—Sr188.67 (5)O2—O6—O399.03 (7)
O5i—O2i—O397.61 (7)O2—O6—O1128.49 (8)
Sr1—O2i—O3142.87 (6)O2—O6—O1i60.49 (5)
Al2—O3—Al1120.08 (10)O2—O6—O6143.09 (6)
Al2—O3—Sr2103.07 (6)O2—O6—Sr2111.87 (7)
Al2—O3—Sr1i98.46 (7)O2—O6—O364.07 (6)
Al2—O3—O1152.63 (8)O2—O6—O397.89 (9)
Al2—O3—O236.09 (5)O2—O6—O399.03 (7)
Al2—O3—O488.70 (7)O2—O6—O359.59 (6)
Al2—O3—O636.23 (5)O2—O6—O160.49 (5)
Al2—O3—O133.26 (5)O2—O6—O1i128.49 (8)
Al2—O3—O2113.20 (8)O2—O6—O6143.09 (6)
Al2—O3—O2i145.24 (8)O2—O6—Sr2111.87 (7)
Al2—O3—O6i144.59 (8)O2—O6—O397.89 (9)
Al2—O3—O386.55 (7)O2—O6—O364.07 (6)
Al1—O3—Sr2114.72 (8)O3—O6—O371.99 (7)
Al1—O3—Sr1i118.33 (7)O3—O6—O1134.40 (9)
Al1—O3—O139.19 (6)O3—O6—O1i62.49 (5)
Al1—O3—O2113.19 (8)O3—O6—O690.57 (8)
Al1—O3—O436.43 (5)O3—O6—Sr253.02 (6)
Al1—O3—O6150.18 (8)O3—O6—O3108.61 (5)
Al1—O3—O191.28 (7)O3—O6—O3156.61 (9)
Al1—O3—O230.91 (4)O3—O6—O162.49 (5)
Al1—O3—O2i70.05 (6)O3—O6—O1i134.40 (9)
Al1—O3—O6i94.18 (8)O3—O6—O690.57 (8)
Al1—O3—O3153.35 (10)O3—O6—Sr253.02 (6)
Sr2—O3—Sr1i98.72 (5)O3—O6—O3156.61 (9)
Sr2—O3—O180.74 (6)O3—O6—O3108.61 (5)
Sr2—O3—O2129.49 (7)O1—O6—O1i162.44 (9)
Sr2—O3—O4109.47 (6)O1—O6—O687.51 (5)
Sr2—O3—O670.39 (6)O1—O6—Sr294.67 (6)
Sr2—O3—O1104.08 (5)O1—O6—O3114.05 (9)
Sr2—O3—O2140.07 (8)O1—O6—O353.19 (5)
Sr2—O3—O2i100.99 (6)O1i—O6—O687.51 (5)
Sr2—O3—O6i49.58 (4)O1i—O6—Sr294.67 (6)
Sr2—O3—O352.11 (4)O1i—O6—O353.19 (5)
Sr1i—O3—O1107.82 (6)O1i—O6—O3114.05 (9)
Sr1i—O3—O271.33 (5)O6—O6—Sr248.74 (6)
Sr1i—O3—O4148.55 (6)O6—O6—O3112.69 (7)
Sr1i—O3—O688.25 (6)O6—O6—O3112.69 (7)
Sr1i—O3—O1129.95 (8)Sr2—O6—O3146.37 (5)
Sr1i—O3—O292.10 (5)Sr2—O6—O3146.37 (5)
Sr1i—O3—O2i53.05 (4)O3—O6—O361.24 (6)
Sr1i—O3—O6i69.54 (5)
Symmetry codes: (i) x+1/2, y+1/2, z; (ii) x+1/2, y+1/2, z; (iii) x+1/2, y+1/2, z.
 

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