Buy article online - an online subscription or single-article purchase is required to access this article.
Download citation
Download citation
link to html
Two new titanates of strontium, lithium and a 3d metal, with the composition SrLiMTi4O11 (M = Cr, Fe), have been discovered. Single crystals were obtained by spontaneous crystallization from a high-temperature solution with LiBO2 as the solvent. The structure of SrLiCrTi4O11 was refined in the orthorhombic space group Pnma (Z = 4), while SrLiFeTi4O11 appeared to adopt a four-times larger orthorhombic unit cell with Pbcn (Z = 16). The structures can be described by a close-packed arrangement of Sr and O atoms. The unit cell contains six `compact planes' perpendicular to [100] in the layer sequence ABACBC [(chc)2]. Ti and Cr or Fe atoms occupy some of the interstitial octahedral sites created, whereas Li atoms are in tetrahedral sites. Depending on the synthesis conditions of SrLiCrTi4O11, the distribution of Cr and Ti atoms on the four possible crystallographic sites is not the same. Having a similar compact-planes sequence, SrLiCrTi4O11 and SrLiFeTi4O11 structures differ in the arrangement of Sr and O atoms per layer of close packing, which also induces a correlated variation in the Li-tetrahedra distribution.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108768106041929/lc5052sup1.cif
Contains datablocks global, cr312, cr4d, srfei

fcf

Structure factor file (CIF format) https://doi.org/10.1107/S0108768106041929/lc5052cr312sup2.fcf
Contains datablock cr312

fcf

Structure factor file (CIF format) https://doi.org/10.1107/S0108768106041929/lc5052cr4dsup3.fcf
Contains datablock cr4d

fcf

Structure factor file (CIF format) https://doi.org/10.1107/S0108768106041929/lc5052srfeisup4.fcf
Contains datablock srfei

Comment top

# Insert blank lines between paragraphs ?

Computing details top

For all compounds, data collection: Collect, Nonius B.V., 1999). Cell refinement: DENZO-SCALEPACK(Otwinowski,Minor,1997) for cr312; DENZO-SCALEPACK(Otwinovski,Minor,1997) for cr4d, srfei. Data reduction: DENZO-SCALEPACK(Otwinowski,Minor,1997) for cr312; DENZO-SCALEPACK(Otwinovski,Minor,1997) for cr4d, srfei. Program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a) for cr312; SHELXS97 (Sheldrick, 1997) for cr4d, srfei. Program(s) used to refine structure: SHELXL97 (Sheldrick, 1997b) for cr312; SHELXL97 (Sheldrick, 1997) for cr4d, srfei.

Figures top
[Figure 1]
[Figure 2]
[Figure 3]
[Figure 4]
[Figure 5]
(cr312) top
Crystal data top
CrLiO11SrTi4Dx = 4.337 Mg m3
Mr = 514.16Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, PnmaCell parameters from 4 reflections
a = 13.818 (1) Åθ = 1–2°
b = 5.755 (1) ŵ = 11.73 mm1
c = 9.901 (1) ÅT = 293 K
V = 787.35 (17) Å3Oval block, dark green
Z = 40.09 × 0.08 × 0.07 mm
F(000) = 876
Data collection top
Four-circle
diffractometer
1393 reflections with I > 2σ(I)
phi and ω scansRint = 0.025
Absorption correction: multi-scan
?
θmax = 32.0°, θmin = 2.5°
Tmin = 0.35, Tmax = 0.44h = 2020
10321 measured reflectionsk = 88
1493 independent reflectionsl = 1414
Refinement top
Refinement on F20 restraints
Least-squares matrix: full w = 1/[σ2(Fo2) + (0.0153P)2 + 2.5599P]
where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.023(Δ/σ)max = 0.001
wR(F2) = 0.056Δρmax = 0.63 e Å3
S = 1.20Δρmin = 0.63 e Å3
1493 reflectionsExtinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
98 parametersExtinction coefficient: 0.0030 (3)
Crystal data top
CrLiO11SrTi4V = 787.35 (17) Å3
Mr = 514.16Z = 4
Orthorhombic, PnmaMo Kα radiation
a = 13.818 (1) ŵ = 11.73 mm1
b = 5.755 (1) ÅT = 293 K
c = 9.901 (1) Å0.09 × 0.08 × 0.07 mm
Data collection top
Four-circle
diffractometer
1493 independent reflections
Absorption correction: multi-scan
?
1393 reflections with I > 2σ(I)
Tmin = 0.35, Tmax = 0.44Rint = 0.025
10321 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.02398 parameters
wR(F2) = 0.0560 restraints
S = 1.20Δρmax = 0.63 e Å3
1493 reflectionsΔρmin = 0.63 e Å3
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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Sr0.09471 (3)0.250.10275 (5)0.01091 (12)
Ti10.00055 (6)0.250.77075 (8)0.00826 (16)0.67
Cr10.00055 (6)0.250.77075 (8)0.00826 (16)0.33
Ti20.33115 (6)0.250.89032 (8)0.00912 (16)0.67
Cr20.33115 (6)0.250.89032 (8)0.00912 (16)0.33
Ti30.33494 (6)0.250.42830 (8)0.00835 (16)0.67
Cr30.33494 (6)0.250.42830 (8)0.00835 (16)0.33
Ti40.17185 (4)0.00092 (10)0.66165 (6)0.00814 (13)
Li0.0405 (7)0.250.4219 (9)0.0126 (16)
O10.0863 (2)0.250.6048 (3)0.0051 (5)
O20.2455 (2)0.250.7430 (3)0.0059 (5)
O30.2609 (2)0.250.2539 (3)0.0053 (5)
O40.3979 (2)0.250.0686 (3)0.0057 (5)
O50.4337 (2)0.250.5611 (3)0.0096 (6)
O60.24427 (16)0.0019 (4)0.9997 (2)0.0065 (4)
O70.41442 (15)0.0066 (4)0.3269 (2)0.0075 (4)
O80.41419 (15)0.0275 (4)0.8156 (2)0.0061 (4)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sr0.0103 (2)0.0108 (2)0.0116 (2)00.00077 (15)0
Ti10.0081 (3)0.0092 (3)0.0075 (3)00.0008 (3)0
Cr10.0081 (3)0.0092 (3)0.0075 (3)00.0008 (3)0
Ti20.0076 (3)0.0131 (4)0.0067 (3)00.0009 (2)0
Cr20.0076 (3)0.0131 (4)0.0067 (3)00.0009 (2)0
Ti30.0080 (3)0.0094 (3)0.0076 (3)00.0011 (3)0
Cr30.0080 (3)0.0094 (3)0.0076 (3)00.0011 (3)0
Ti40.0082 (2)0.0086 (2)0.0076 (2)0.00075 (18)0.00053 (18)0.00020 (18)
Li0.017 (4)0.012 (4)0.009 (3)00.005 (3)0
O10.0048 (12)0.0054 (13)0.0051 (13)00.0008 (10)0
O20.0063 (12)0.0055 (12)0.0058 (12)00.0009 (10)0
O30.0046 (12)0.0053 (12)0.0060 (12)00.0001 (10)0
O40.0042 (12)0.0067 (13)0.0061 (13)00.0005 (10)0
O50.0076 (13)0.0150 (15)0.0063 (13)00.0034 (11)0
O60.0073 (9)0.0056 (8)0.0065 (8)0.0010 (7)0.0008 (7)0.0003 (7)
O70.0064 (8)0.0062 (9)0.0098 (9)0.0014 (7)0.0003 (7)0.0015 (8)
O80.0054 (8)0.0054 (9)0.0075 (9)0.0003 (7)0.0003 (7)0.0003 (7)
Geometric parameters (Å, º) top
Sr—O8i2.647 (2)Ti3—Ti4i3.0107 (9)
Sr—O8ii2.647 (2)Ti3—Srxvii3.4941 (7)
Sr—O6iii2.711 (2)Ti3—Srxiii3.4941 (7)
Sr—O6iv2.711 (2)Ti4—O21.934 (2)
Sr—O32.741 (3)Ti4—O11.941 (2)
Sr—O5v2.753 (3)Ti4—O3xiii1.945 (2)
Sr—O5ii2.9334 (8)Ti4—O4xiii1.966 (2)
Sr—O5vi2.9334 (8)Ti4—O6ii1.978 (2)
Sr—O7v2.942 (2)Ti4—O7xiii2.025 (2)
Sr—O7vii2.942 (2)Ti4—Ti4xiv2.8669 (13)
Sr—O7ii3.108 (2)Ti4—Ti4xviii2.8881 (13)
Sr—O7i3.108 (2)Li—O11.919 (9)
Sr—Li3.248 (9)Li—O4v1.972 (9)
Sr—Ti1viii3.4031 (6)Li—O8ii2.013 (6)
Sr—Ti1ix3.4031 (6)Li—O8i2.013 (6)
Ti1—O5x1.904 (3)Li—Ti4xiv3.314 (8)
Ti1—O8x1.948 (2)Li—Ti4viii3.373 (8)
Ti1—O8xi1.948 (2)Li—Ti4xix3.373 (8)
Ti1—O7xii1.967 (2)Li—Ti2vi3.395 (5)
Ti1—O7xiii1.967 (2)O1—Ti4xiv1.941 (2)
Ti1—O12.025 (3)O2—Ti4xiv1.934 (2)
Ti1—Cr2x2.8323 (11)O3—Ti4ii1.945 (2)
Ti1—Ti2x2.8323 (11)O3—Ti4i1.945 (2)
Ti1—Ti4xiv2.9706 (9)O4—Ti4i1.966 (2)
Ti1—Ti42.9706 (9)O4—Ti4ii1.966 (2)
Ti2—O81.872 (2)O4—Lixx1.972 (9)
Ti2—O8xiv1.872 (2)O4—Ti2iv1.991 (3)
Ti2—O21.879 (3)O5—Ti1xvi1.904 (3)
Ti2—O4xv1.991 (3)O5—Srxx2.753 (3)
Ti2—O6xiv2.157 (2)O5—Srxiii2.9334 (8)
Ti2—O62.157 (2)O5—Srxvii2.9334 (8)
Ti2—Cr1xvi2.8323 (11)O6—Ti3xiii1.949 (2)
Ti2—Ti1xvi2.8323 (11)O6—Ti4xiii1.978 (2)
Ti2—Ti4xii3.0503 (9)O6—Srxv2.711 (2)
Ti2—Ti4xiii3.0503 (9)O7—Ti1ii1.967 (2)
Ti3—O51.895 (3)O7—Ti4ii2.025 (2)
Ti3—O6i1.949 (2)O7—Srxx2.942 (2)
Ti3—O6ii1.949 (2)O7—Srxiii3.108 (2)
Ti3—O32.007 (3)O8—Ti1xvi1.948 (2)
Ti3—O72.043 (2)O8—Lixiii2.013 (6)
Ti3—O7xiv2.043 (2)O8—Srxiii2.647 (2)
Ti3—Ti4ii3.0107 (9)
O8i—Sr—O8ii74.21 (10)O8xiv—Ti2—Ti4xiii132.87 (7)
O8i—Sr—O6iii90.99 (7)O2—Ti2—Ti4xiii132.48 (8)
O8ii—Sr—O6iii130.74 (6)O4xv—Ti2—Ti4xiii39.26 (6)
O8i—Sr—O6iv130.74 (6)O6xiv—Ti2—Ti4xiii82.15 (6)
O8ii—Sr—O6iv90.99 (7)O6—Ti2—Ti4xiii40.25 (6)
O6iii—Sr—O6iv63.56 (9)Cr1xvi—Ti2—Ti4xiii120.47 (3)
O8i—Sr—O366.68 (7)Ti1xvi—Ti2—Ti4xiii120.47 (3)
O8ii—Sr—O366.68 (7)Ti4xii—Ti2—Ti4xiii56.51 (3)
O6iii—Sr—O364.33 (7)O5—Ti3—O6i98.79 (10)
O6iv—Sr—O364.33 (7)O5—Ti3—O6ii98.79 (10)
O8i—Sr—O5v115.57 (7)O6i—Ti3—O6ii96.09 (13)
O8ii—Sr—O5v115.57 (7)O5—Ti3—O3164.56 (14)
O6iii—Sr—O5v113.22 (7)O6i—Ti3—O391.48 (9)
O6iv—Sr—O5v113.22 (7)O6ii—Ti3—O391.48 (9)
O3—Sr—O5v176.99 (9)O5—Ti3—O787.34 (10)
O8i—Sr—O5ii134.23 (8)O6i—Ti3—O7171.79 (10)
O8ii—Sr—O5ii60.93 (8)O6ii—Ti3—O788.30 (9)
O6iii—Sr—O5ii124.46 (8)O3—Ti3—O781.45 (9)
O6iv—Sr—O5ii62.14 (8)O5—Ti3—O7xiv87.34 (10)
O3—Sr—O5ii100.90 (6)O6i—Ti3—O7xiv88.30 (9)
O5v—Sr—O5ii78.98 (6)O6ii—Ti3—O7xiv171.79 (10)
O8i—Sr—O5vi60.93 (8)O3—Ti3—O7xiv81.45 (9)
O8ii—Sr—O5vi134.23 (8)O7—Ti3—O7xiv86.53 (13)
O6iii—Sr—O5vi62.14 (8)O5—Ti3—Ti4ii129.10 (9)
O6iv—Sr—O5vi124.46 (8)O6i—Ti3—Ti4ii131.10 (7)
O3—Sr—O5vi100.90 (6)O6ii—Ti3—Ti4ii86.79 (7)
O5v—Sr—O5vi78.98 (6)O3—Ti3—Ti4ii39.62 (6)
O5ii—Sr—O5vi157.59 (13)O7—Ti3—Ti4ii42.03 (6)
O8i—Sr—O7v93.40 (7)O7xiv—Ti3—Ti4ii85.10 (7)
O8ii—Sr—O7v59.00 (6)O5—Ti3—Ti4i129.10 (9)
O6iii—Sr—O7v170.20 (6)O6i—Ti3—Ti4i86.79 (7)
O6iv—Sr—O7v118.94 (6)O6ii—Ti3—Ti4i131.10 (7)
O3—Sr—O7v125.47 (7)O3—Ti3—Ti4i39.62 (6)
O5v—Sr—O7v56.99 (7)O7—Ti3—Ti4i85.10 (7)
O5ii—Sr—O7v56.82 (8)O7xiv—Ti3—Ti4i42.03 (6)
O5vi—Sr—O7v112.76 (8)Ti4ii—Ti3—Ti4i57.32 (3)
O8i—Sr—O7vii59.00 (6)O5—Ti3—Srxvii57.09 (2)
O8ii—Sr—O7vii93.40 (7)O6i—Ti3—Srxvii50.54 (7)
O6iii—Sr—O7vii118.94 (6)O6ii—Ti3—Srxvii126.11 (7)
O6iv—Sr—O7vii170.20 (6)O3—Ti3—Srxvii124.550 (13)
O3—Sr—O7vii125.47 (7)O7—Ti3—Srxvii131.13 (7)
O5v—Sr—O7vii56.99 (7)O7xiv—Ti3—Srxvii61.89 (6)
O5ii—Sr—O7vii112.76 (8)Ti4ii—Ti3—Srxvii146.84 (2)
O5vi—Sr—O7vii56.82 (8)Ti4i—Ti3—Srxvii92.703 (17)
O7v—Sr—O7vii56.86 (9)O5—Ti3—Srxiii57.09 (2)
O8i—Sr—O7ii169.93 (6)O6i—Ti3—Srxiii126.11 (7)
O8ii—Sr—O7ii114.28 (6)O6ii—Ti3—Srxiii50.54 (7)
O6iii—Sr—O7ii87.17 (6)O3—Ti3—Srxiii124.550 (13)
O6iv—Sr—O7ii56.63 (6)O7—Ti3—Srxiii61.89 (6)
O3—Sr—O7ii120.92 (7)O7xiv—Ti3—Srxiii131.13 (7)
O5v—Sr—O7ii56.59 (7)Ti4ii—Ti3—Srxiii92.703 (17)
O5ii—Sr—O7ii53.46 (7)Ti4i—Ti3—Srxiii146.84 (2)
O5vi—Sr—O7ii109.70 (8)Srxvii—Ti3—Srxiii110.88 (3)
O7v—Sr—O7ii86.99 (6)O2—Ti4—O183.90 (10)
O7vii—Sr—O7ii113.58 (4)O2—Ti4—O3xiii95.93 (9)
O8i—Sr—O7i114.28 (6)O1—Ti4—O3xiii167.22 (13)
O8ii—Sr—O7i169.93 (6)O2—Ti4—O4xiii176.34 (13)
O6iii—Sr—O7i56.63 (6)O1—Ti4—O4xiii96.19 (10)
O6iv—Sr—O7i87.17 (6)O3xiii—Ti4—O4xiii84.79 (10)
O3—Sr—O7i120.92 (7)O2—Ti4—O6ii92.02 (11)
O5v—Sr—O7i56.59 (7)O1—Ti4—O6ii97.36 (11)
O5ii—Sr—O7i109.70 (8)O3xiii—Ti4—O6ii95.42 (11)
O5vi—Sr—O7i53.46 (7)O4xiii—Ti4—O6ii84.33 (11)
O7v—Sr—O7i113.58 (4)O2—Ti4—O7xiii89.38 (11)
O7vii—Sr—O7i86.99 (6)O1—Ti4—O7xiii83.77 (11)
O7ii—Sr—O7i56.76 (8)O3xiii—Ti4—O7xiii83.45 (11)
O8i—Sr—Li38.24 (6)O4xiii—Ti4—O7xiii94.27 (11)
O8ii—Sr—Li38.24 (6)O6ii—Ti4—O7xiii178.29 (10)
O6iii—Sr—Li122.82 (13)O2—Ti4—Ti4xiv42.15 (7)
O6iv—Sr—Li122.82 (13)O1—Ti4—Ti4xiv42.41 (7)
O3—Sr—Li70.25 (17)O3xiii—Ti4—Ti4xiv137.94 (7)
O5v—Sr—Li112.75 (17)O4xiii—Ti4—Ti4xiv137.28 (7)
O5ii—Sr—Li96.08 (7)O6ii—Ti4—Ti4xiv90.47 (7)
O5vi—Sr—Li96.08 (7)O7xiii—Ti4—Ti4xiv91.23 (7)
O7v—Sr—Li64.79 (14)O2—Ti4—Ti4xviii137.85 (7)
O7vii—Sr—Li64.79 (14)O1—Ti4—Ti4xviii137.59 (7)
O7ii—Sr—Li147.76 (8)O3xiii—Ti4—Ti4xviii42.06 (7)
O7i—Sr—Li147.76 (8)O4xiii—Ti4—Ti4xviii42.72 (7)
O8i—Sr—Ti1viii101.49 (5)O6ii—Ti4—Ti4xviii89.53 (7)
O8ii—Sr—Ti1viii34.81 (5)O7xiii—Ti4—Ti4xviii88.77 (7)
O6iii—Sr—Ti1viii151.48 (5)Ti4xiv—Ti4—Ti4xviii180
O6iv—Sr—Ti1viii89.31 (5)O2—Ti4—Ti184.84 (8)
O3—Sr—Ti1viii97.07 (4)O1—Ti4—Ti142.59 (9)
O5v—Sr—Ti1viii84.51 (4)O3xiii—Ti4—Ti1124.63 (9)
O5ii—Sr—Ti1viii33.95 (6)O4xiii—Ti4—Ti197.72 (8)
O5vi—Sr—Ti1viii146.04 (7)O6ii—Ti4—Ti1139.95 (7)
O7v—Sr—Ti1viii35.19 (4)O7xiii—Ti4—Ti141.19 (6)
O7vii—Sr—Ti1viii89.31 (5)Ti4xiv—Ti4—Ti161.149 (14)
O7ii—Sr—Ti1viii84.60 (4)Ti4xviii—Ti4—Ti1118.851 (14)
O7i—Sr—Ti1viii135.20 (4)O1—Li—O4v106.5 (4)
Li—Sr—Ti1viii63.43 (5)O1—Li—O8ii113.0 (3)
O8i—Sr—Ti1ix34.81 (5)O4v—Li—O8ii109.6 (3)
O8ii—Sr—Ti1ix101.49 (5)O1—Li—O8i113.0 (3)
O6iii—Sr—Ti1ix89.31 (5)O4v—Li—O8i109.6 (3)
O6iv—Sr—Ti1ix151.48 (5)O8ii—Li—O8i105.0 (4)
O3—Sr—Ti1ix97.07 (4)O1—Li—Sr147.4 (4)
O5v—Sr—Ti1ix84.51 (4)O4v—Li—Sr106.1 (3)
O5ii—Sr—Ti1ix146.04 (7)O8ii—Li—Sr54.5 (2)
O5vi—Sr—Ti1ix33.95 (6)O8i—Li—Sr54.5 (2)
O7v—Sr—Ti1ix89.31 (5)O1—Li—Ti4xiv31.04 (11)
O7vii—Sr—Ti1ix35.19 (4)O4v—Li—Ti4xiv120.9 (3)
O7ii—Sr—Ti1ix135.20 (4)O8ii—Li—Ti4xiv123.2 (3)
O7i—Sr—Ti1ix84.60 (4)O8i—Li—Ti4xiv82.0 (2)
Li—Sr—Ti1ix63.43 (5)Sr—Li—Ti4xiv124.8 (2)
Ti1viii—Sr—Ti1ix115.46 (3)O1—Li—Ti431.04 (11)
O5x—Ti1—O8x94.98 (10)O4v—Li—Ti4120.9 (3)
O5x—Ti1—O8xi94.98 (10)O8ii—Li—Ti482.0 (2)
O8x—Ti1—O8xi82.21 (13)O8i—Li—Ti4123.2 (3)
O5x—Ti1—O7xii92.43 (10)Sr—Li—Ti4124.8 (2)
O8x—Ti1—O7xii169.52 (10)Ti4xiv—Li—Ti451.25 (13)
O8xi—Ti1—O7xii89.79 (9)O1—Li—Ti4viii121.2 (3)
O5x—Ti1—O7xiii92.43 (10)O4v—Li—Ti4viii31.01 (11)
O8x—Ti1—O7xiii89.79 (9)O8ii—Li—Ti4viii78.6 (2)
O8xi—Ti1—O7xiii169.52 (10)O8i—Li—Ti4viii118.8 (3)
O7xii—Ti1—O7xiii97.30 (14)Sr—Li—Ti4viii87.82 (19)
O5x—Ti1—O1173.20 (14)Ti4xiv—Li—Ti4viii146.9 (3)
O8x—Ti1—O190.13 (9)Ti4—Li—Ti4viii117.84 (15)
O8xi—Ti1—O190.13 (9)O1—Li—Ti4xix121.2 (3)
O7xii—Ti1—O183.10 (9)O4v—Li—Ti4xix31.01 (11)
O7xiii—Ti1—O183.10 (9)O8ii—Li—Ti4xix118.8 (3)
O5x—Ti1—Cr2x95.27 (11)O8i—Li—Ti4xix78.6 (2)
O8x—Ti1—Cr2x41.12 (7)Sr—Li—Ti4xix87.82 (19)
O8xi—Ti1—Cr2x41.12 (7)Ti4xiv—Li—Ti4xix117.84 (15)
O7xii—Ti1—Cr2x130.74 (7)Ti4—Li—Ti4xix146.9 (3)
O7xiii—Ti1—Cr2x130.74 (7)Ti4viii—Li—Ti4xix50.70 (13)
O1—Ti1—Cr2x91.53 (9)O1—Li—Ti2vi85.1 (2)
O5x—Ti1—Ti2x95.27 (11)O4v—Li—Ti2vi121.76 (13)
O8x—Ti1—Ti2x41.12 (7)O8ii—Li—Ti2vi117.5 (4)
O8xi—Ti1—Ti2x41.12 (7)O8i—Li—Ti2vi27.94 (12)
O7xii—Ti1—Ti2x130.74 (7)Sr—Li—Ti2vi77.86 (16)
O7xiii—Ti1—Ti2x130.74 (7)Ti4xiv—Li—Ti2vi54.07 (9)
O1—Ti1—Ti2x91.53 (9)Ti4—Li—Ti2vi98.4 (2)
Cr2x—Ti1—Ti2x0.000 (18)Ti4viii—Li—Ti2vi142.6 (2)
O5x—Ti1—Ti4xiv134.78 (8)Ti4xix—Li—Ti2vi93.96 (8)
O8x—Ti1—Ti4xiv130.22 (7)Li—O1—Ti4xiv118.33 (18)
O8xi—Ti1—Ti4xiv90.65 (7)Li—O1—Ti4118.33 (18)
O7xii—Ti1—Ti4xiv42.66 (7)Ti4xiv—O1—Ti495.18 (13)
O7xiii—Ti1—Ti4xiv89.38 (7)Li—O1—Ti1124.9 (3)
O1—Ti1—Ti4xiv40.45 (6)Ti4xiv—O1—Ti196.96 (11)
Cr2x—Ti1—Ti4xiv116.99 (3)Ti4—O1—Ti196.96 (11)
Ti2x—Ti1—Ti4xiv116.99 (3)Ti2—O2—Ti4130.92 (7)
O5x—Ti1—Ti4134.78 (8)Ti2—O2—Ti4xiv130.92 (7)
O8x—Ti1—Ti490.65 (7)Ti4—O2—Ti4xiv95.70 (14)
O8xi—Ti1—Ti4130.22 (7)Ti4ii—O3—Ti4i95.87 (13)
O7xii—Ti1—Ti489.38 (7)Ti4ii—O3—Ti399.23 (11)
O7xiii—Ti1—Ti442.66 (7)Ti4i—O3—Ti399.23 (11)
O1—Ti1—Ti440.45 (6)Ti4ii—O3—Sr98.27 (10)
Cr2x—Ti1—Ti4116.99 (3)Ti4i—O3—Sr98.27 (10)
Ti2x—Ti1—Ti4116.99 (3)Ti3—O3—Sr153.75 (14)
Ti4xiv—Ti1—Ti457.70 (3)Ti4i—O4—Ti4ii94.55 (14)
O8—Ti2—O8xiv86.34 (14)Ti4i—O4—Lixx117.87 (18)
O8—Ti2—O294.55 (10)Ti4ii—O4—Lixx117.87 (18)
O8xiv—Ti2—O294.55 (10)Ti4i—O4—Ti2iv100.86 (11)
O8—Ti2—O4xv93.80 (9)Ti4ii—O4—Ti2iv100.86 (11)
O8xiv—Ti2—O4xv93.80 (10)Lixx—O4—Ti2iv120.3 (3)
O2—Ti2—O4xv168.53 (14)Ti3—O5—Ti1xvi162.9 (2)
O8—Ti2—O6xiv172.95 (10)Ti3—O5—Srxx99.99 (13)
O8xiv—Ti2—O6xiv94.97 (9)Ti1xvi—O5—Srxx97.10 (13)
O2—Ti2—O6xiv92.25 (9)Ti3—O5—Srxiii90.06 (7)
O4xv—Ti2—O6xiv79.20 (9)Ti1xvi—O5—Srxiii86.67 (7)
O8—Ti2—O694.97 (9)Srxx—O5—Srxiii101.02 (6)
O8xiv—Ti2—O6172.95 (10)Ti3—O5—Srxvii90.06 (7)
O2—Ti2—O692.25 (9)Ti1xvi—O5—Srxvii86.67 (7)
O4xv—Ti2—O679.20 (9)Srxx—O5—Srxvii101.02 (6)
O6xiv—Ti2—O682.89 (12)Srxiii—O5—Srxvii157.59 (13)
O8—Ti2—Cr1xvi43.19 (7)Ti3xiii—O6—Ti4xiii128.09 (12)
O8xiv—Ti2—Cr1xvi43.19 (7)Ti3xiii—O6—Ti2128.50 (11)
O2—Ti2—Cr1xvi94.79 (10)Ti4xiii—O6—Ti294.95 (9)
O4xv—Ti2—Cr1xvi96.67 (9)Ti3xiii—O6—Srxv95.75 (8)
O6xiv—Ti2—Cr1xvi137.96 (6)Ti4xiii—O6—Srxv98.40 (8)
O6—Ti2—Cr1xvi137.96 (6)Ti2—O6—Srxv105.34 (9)
O8—Ti2—Ti1xvi43.19 (7)Ti1ii—O7—Ti4ii96.15 (10)
O8xiv—Ti2—Ti1xvi43.19 (7)Ti1ii—O7—Ti3166.98 (13)
O2—Ti2—Ti1xvi94.79 (10)Ti4ii—O7—Ti395.47 (9)
O4xv—Ti2—Ti1xvi96.67 (9)Ti1ii—O7—Srxx85.33 (7)
O6xiv—Ti2—Ti1xvi137.96 (6)Ti4ii—O7—Srxx134.44 (10)
O6—Ti2—Ti1xvi137.96 (6)Ti3—O7—Srxx90.72 (8)
Cr1xvi—Ti2—Ti1xvi0.00 (3)Ti1ii—O7—Srxiii85.17 (8)
O8—Ti2—Ti4xii132.87 (7)Ti4ii—O7—Srxiii132.54 (10)
O8xiv—Ti2—Ti4xii91.86 (7)Ti3—O7—Srxiii82.65 (7)
O2—Ti2—Ti4xii132.48 (8)Srxx—O7—Srxiii93.01 (6)
O4xv—Ti2—Ti4xii39.26 (6)Ti2—O8—Ti1xvi95.69 (10)
O6xiv—Ti2—Ti4xii40.25 (6)Ti2—O8—Lixiii121.8 (3)
O6—Ti2—Ti4xii82.15 (6)Ti1xvi—O8—Lixiii124.1 (3)
Cr1xvi—Ti2—Ti4xii120.47 (3)Ti2—O8—Srxiii134.34 (10)
Ti1xvi—Ti2—Ti4xii120.47 (3)Ti1xvi—O8—Srxiii94.34 (8)
O8—Ti2—Ti4xiii91.86 (7)Lixiii—O8—Srxiii87.3 (2)
Symmetry codes: (i) x+1/2, y+1/2, z1/2; (ii) x+1/2, y, z1/2; (iii) x, y+1/2, z1; (iv) x, y, z1; (v) x1/2, y, z+1/2; (vi) x+1/2, y+1, z1/2; (vii) x1/2, y+1/2, z+1/2; (viii) x, y, z+1; (ix) x, y+1, z+1; (x) x1/2, y, z+3/2; (xi) x1/2, y+1/2, z+3/2; (xii) x+1/2, y+1/2, z+1/2; (xiii) x+1/2, y, z+1/2; (xiv) x, y+1/2, z; (xv) x, y, z+1; (xvi) x+1/2, y, z+3/2; (xvii) x+1/2, y+1, z+1/2; (xviii) x, y1/2, z; (xix) x, y+1/2, z+1; (xx) x+1/2, y, z+1/2.
(cr4d) top
Crystal data top
CrLiO11SrTi4Dx = 4.343 Mg m3
Mr = 514.16Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, PnmaCell parameters from 41 reflections
a = 13.798 (2) Åθ = 1.0–24.7°
b = 5.763 (1) ŵ = 11.75 mm1
c = 9.890 (2) ÅT = 293 K
V = 786.4 (2) Å3Platelet, dark green
Z = 40.05 × 0.04 × 0.01 mm
F(000) = 876
Data collection top
Four circle
diffractometer
957 reflections with I > 2σ(I)
phi and ω scansRint = 0.047
Absorption correction: multi-scan
?
θmax = 30.0°, θmin = 3.0°
Tmin = 0.55, Tmax = 0.89h = 1719
6546 measured reflectionsk = 78
1243 independent reflectionsl = 1313
Refinement top
Refinement on F20 restraints
Least-squares matrix: full w = 1/[σ2(Fo2) + (0.P)2 + 8.8912P]
where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.04(Δ/σ)max < 0.001
wR(F2) = 0.073Δρmax = 0.76 e Å3
S = 1.18Δρmin = 0.74 e Å3
1243 reflectionsExtinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
98 parametersExtinction coefficient: 0.0007 (2)
Crystal data top
CrLiO11SrTi4V = 786.4 (2) Å3
Mr = 514.16Z = 4
Orthorhombic, PnmaMo Kα radiation
a = 13.798 (2) ŵ = 11.75 mm1
b = 5.763 (1) ÅT = 293 K
c = 9.890 (2) Å0.05 × 0.04 × 0.01 mm
Data collection top
Four circle
diffractometer
1243 independent reflections
Absorption correction: multi-scan
?
957 reflections with I > 2σ(I)
Tmin = 0.55, Tmax = 0.89Rint = 0.047
6546 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0498 parameters
wR(F2) = 0.0730 restraints
S = 1.18Δρmax = 0.76 e Å3
1243 reflectionsΔρmin = 0.74 e Å3
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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Sr0.09449 (5)0.250.10285 (7)0.01298 (18)
Ti10.00081 (9)0.250.77065 (13)0.0073 (3)
Ti20.33159 (9)0.250.89090 (13)0.0084 (3)
Ti30.33432 (9)0.250.42923 (13)0.0072 (3)
Ti40.17188 (6)0.00081 (14)0.66285 (8)0.00692 (18)0.5
Cr40.17188 (6)0.00081 (14)0.66285 (8)0.00692 (18)0.5
Li0.0401 (9)0.250.4219 (13)0.014 (3)
O10.0870 (3)0.250.6042 (5)0.0066 (9)
O20.2451 (3)0.250.7442 (5)0.0069 (9)
O30.2601 (3)0.250.2539 (5)0.0067 (9)
O40.3979 (3)0.250.0704 (5)0.0055 (9)
O50.4346 (3)0.250.5607 (5)0.0095 (10)
O60.2442 (2)0.0014 (6)1.0005 (3)0.0073 (6)
O70.4142 (2)0.0061 (6)0.3270 (3)0.0071 (6)
O80.4144 (2)0.0280 (6)0.8155 (3)0.0072 (6)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sr0.0119 (3)0.0122 (3)0.0148 (4)00.0006 (3)0
Ti10.0063 (5)0.0076 (5)0.0080 (6)00.0009 (5)0
Ti20.0071 (5)0.0107 (6)0.0074 (6)00.0011 (5)0
Ti30.0073 (6)0.0075 (6)0.0069 (6)00.0009 (5)0
Ti40.0070 (3)0.0058 (3)0.0080 (4)0.0006 (3)0.0008 (3)0.0002 (3)
Cr40.0070 (3)0.0058 (3)0.0080 (4)0.0006 (3)0.0008 (3)0.0002 (3)
Li0.019 (6)0.013 (6)0.009 (6)00.008 (5)0
O10.007 (2)0.005 (2)0.008 (2)00.0015 (18)0
O20.006 (2)0.008 (2)0.007 (2)00.0013 (18)0
O30.006 (2)0.004 (2)0.010 (2)00.0008 (18)0
O40.002 (2)0.005 (2)0.009 (2)00.0010 (18)0
O50.009 (2)0.011 (2)0.008 (2)00.0001 (19)0
O60.0080 (14)0.0069 (15)0.0069 (16)0.0020 (13)0.0011 (13)0.0003 (13)
O70.0067 (14)0.0074 (15)0.0072 (16)0.0010 (13)0.0002 (13)0.0014 (13)
O80.0057 (14)0.0069 (15)0.0090 (16)0.0008 (12)0.0001 (12)0.0004 (13)
Geometric parameters (Å, º) top
Sr—O8i2.647 (3)Ti3—Cr4i3.0061 (14)
Sr—O8ii2.647 (3)Ti3—Ti4i3.0061 (14)
Sr—O6iii2.709 (3)Ti4—O21.932 (3)
Sr—O6iv2.709 (3)Ti4—O11.941 (3)
Sr—O32.730 (5)Ti4—O3xiii1.944 (3)
Sr—O5v2.736 (5)Ti4—O4xiii1.962 (3)
Sr—O5ii2.9390 (11)Ti4—O6ii1.980 (3)
Sr—O5vi2.9390 (11)Ti4—O7xiii2.011 (3)
Sr—O7v2.941 (3)Ti4—Cr4xiv2.8722 (17)
Sr—O7vii2.941 (3)Ti4—Ti4xiv2.8722 (17)
Sr—O7ii3.105 (3)Ti4—Cr4xvii2.8908 (17)
Sr—O7i3.105 (3)Ti4—Ti4xvii2.8908 (17)
Sr—Li3.244 (13)Li—O11.916 (13)
Sr—Ti1viii3.4055 (9)Li—O4v1.964 (14)
Sr—Ti1ix3.4055 (9)Li—O8ii2.017 (9)
Ti1—O5x1.902 (5)Li—O8i2.017 (9)
Ti1—O8x1.946 (3)Li—Ti4xiv3.324 (11)
Ti1—O8xi1.946 (3)Li—Ti4viii3.368 (11)
Ti1—O7xii1.966 (3)Li—Ti4xviii3.368 (11)
Ti1—O7xiii1.966 (3)Li—Ti2vi3.396 (7)
Ti1—O12.031 (5)O1—Ti4xiv1.941 (3)
Ti1—Ti2x2.8293 (18)O2—Ti4xiv1.932 (3)
Ti1—Cr4xiv2.9614 (14)O3—Ti4ii1.944 (3)
Ti1—Ti4xiv2.9614 (14)O3—Ti4i1.944 (3)
Ti2—O8xiv1.870 (3)O4—Ti4ii1.962 (3)
Ti2—O81.870 (3)O4—Ti4i1.962 (3)
Ti2—O21.878 (5)O4—Lixix1.964 (14)
Ti2—O4xv1.997 (5)O4—Ti2iv1.997 (5)
Ti2—O62.164 (3)O5—Ti1xvi1.902 (5)
Ti2—O6xiv2.164 (3)O5—Srxix2.736 (5)
Ti2—Ti1xvi2.8293 (18)O5—Srxiii2.9390 (11)
Ti2—Cr4xii3.0538 (15)O5—Srxx2.9390 (11)
Ti2—Ti4xii3.0538 (15)O6—Ti3xiii1.941 (3)
Ti2—Cr4xiii3.0538 (15)O6—Ti4xiii1.980 (3)
Ti3—O51.898 (5)O6—Srxv2.709 (3)
Ti3—O6ii1.941 (3)O7—Ti1ii1.966 (3)
Ti3—O6i1.941 (3)O7—Ti4ii2.011 (3)
Ti3—O32.014 (5)O7—Srxix2.941 (3)
Ti3—O7xiv2.052 (3)O7—Srxiii3.105 (3)
Ti3—O72.052 (3)O8—Ti1xvi1.946 (3)
Ti3—Cr4ii3.0061 (14)O8—Lixiii2.017 (9)
Ti3—Ti4ii3.0061 (14)O8—Srxiii2.647 (3)
O8i—Sr—O8ii74.51 (14)O5—Ti3—O6i99.07 (14)
O8i—Sr—O6iii90.69 (10)O6ii—Ti3—O6i96.5 (2)
O8ii—Sr—O6iii130.70 (10)O5—Ti3—O3163.8 (2)
O8i—Sr—O6iv130.70 (10)O6ii—Ti3—O391.68 (14)
O8ii—Sr—O6iv90.69 (10)O6i—Ti3—O391.68 (14)
O6iii—Sr—O6iv63.84 (14)O5—Ti3—O7xiv86.92 (14)
O8i—Sr—O366.67 (10)O6ii—Ti3—O7xiv171.69 (15)
O8ii—Sr—O366.67 (10)O6i—Ti3—O7xiv88.13 (13)
O6iii—Sr—O364.30 (11)O3—Ti3—O7xiv81.29 (13)
O6iv—Sr—O364.30 (11)O5—Ti3—O786.92 (14)
O8i—Sr—O5v115.62 (10)O6ii—Ti3—O788.13 (13)
O8ii—Sr—O5v115.62 (10)O6i—Ti3—O7171.69 (15)
O6iii—Sr—O5v113.20 (11)O3—Ti3—O781.29 (13)
O6iv—Sr—O5v113.20 (11)O7xiv—Ti3—O786.43 (19)
O3—Sr—O5v176.94 (14)O5—Ti3—Cr4ii128.38 (13)
O8i—Sr—O5ii134.42 (12)O6ii—Ti3—Cr4ii86.77 (10)
O8ii—Sr—O5ii60.86 (12)O6i—Ti3—Cr4ii131.40 (11)
O6iii—Sr—O5ii124.71 (12)O3—Ti3—Cr4ii39.73 (9)
O6iv—Sr—O5ii62.14 (12)O7xiv—Ti3—Cr4ii84.99 (10)
O3—Sr—O5ii101.06 (9)O7—Ti3—Cr4ii41.77 (9)
O5v—Sr—O5ii78.82 (9)O5—Ti3—Ti4ii128.38 (13)
O8i—Sr—O5vi60.86 (12)O6ii—Ti3—Ti4ii86.77 (10)
O8ii—Sr—O5vi134.42 (12)O6i—Ti3—Ti4ii131.40 (11)
O6iii—Sr—O5vi62.14 (12)O3—Ti3—Ti4ii39.73 (9)
O6iv—Sr—O5vi124.71 (12)O7xiv—Ti3—Ti4ii84.99 (10)
O3—Sr—O5vi101.06 (9)O7—Ti3—Ti4ii41.77 (9)
O5v—Sr—O5vi78.82 (9)Cr4ii—Ti3—Ti4ii0.00 (4)
O5ii—Sr—O5vi157.29 (19)O5—Ti3—Cr4i128.38 (13)
O8i—Sr—O7v93.59 (10)O6ii—Ti3—Cr4i131.40 (11)
O8ii—Sr—O7v58.93 (9)O6i—Ti3—Cr4i86.77 (10)
O6iii—Sr—O7v170.32 (9)O3—Ti3—Cr4i39.73 (9)
O6iv—Sr—O7v118.71 (9)O7xiv—Ti3—Cr4i41.77 (9)
O3—Sr—O7v125.38 (10)O7—Ti3—Cr4i84.99 (10)
O5v—Sr—O7v57.12 (10)Cr4ii—Ti3—Cr4i57.48 (4)
O5ii—Sr—O7v56.60 (11)Ti4ii—Ti3—Cr4i57.48 (4)
O5vi—Sr—O7v112.74 (12)O5—Ti3—Ti4i128.38 (13)
O8i—Sr—O7vii58.93 (9)O6ii—Ti3—Ti4i131.40 (11)
O8ii—Sr—O7vii93.59 (10)O6i—Ti3—Ti4i86.77 (10)
O6iii—Sr—O7vii118.71 (9)O3—Ti3—Ti4i39.73 (9)
O6iv—Sr—O7vii170.32 (9)O7xiv—Ti3—Ti4i41.77 (9)
O3—Sr—O7vii125.38 (10)O7—Ti3—Ti4i84.99 (10)
O5v—Sr—O7vii57.12 (10)Cr4ii—Ti3—Ti4i57.48 (4)
O5ii—Sr—O7vii112.74 (12)Ti4ii—Ti3—Ti4i57.48 (4)
O5vi—Sr—O7vii56.60 (11)Cr4i—Ti3—Ti4i0.000 (15)
O7v—Sr—O7vii57.10 (13)O2—Ti4—O183.69 (15)
O8i—Sr—O7ii169.87 (9)O2—Ti4—O3xiii96.15 (14)
O8ii—Sr—O7ii114.13 (9)O1—Ti4—O3xiii168.3 (2)
O6iii—Sr—O7ii87.28 (9)O2—Ti4—O4xiii176.6 (2)
O6iv—Sr—O7ii56.61 (9)O1—Ti4—O4xiii96.32 (14)
O3—Sr—O7ii120.87 (10)O3xiii—Ti4—O4xiii84.54 (14)
O5v—Sr—O7ii56.59 (10)O2—Ti4—O6ii92.08 (17)
O5ii—Sr—O7ii53.40 (11)O1—Ti4—O6ii96.63 (18)
O5vi—Sr—O7ii109.64 (11)O3xiii—Ti4—O6ii95.07 (17)
O7v—Sr—O7ii87.00 (9)O4xiii—Ti4—O6ii84.52 (17)
O7vii—Sr—O7ii113.71 (6)O2—Ti4—O7xiii89.29 (17)
O8i—Sr—O7i114.13 (9)O1—Ti4—O7xiii84.25 (17)
O8ii—Sr—O7i169.87 (9)O3xiii—Ti4—O7xiii84.05 (17)
O6iii—Sr—O7i56.61 (9)O4xiii—Ti4—O7xiii94.11 (17)
O6iv—Sr—O7i87.28 (9)O6ii—Ti4—O7xiii178.44 (14)
O3—Sr—O7i120.87 (10)O2—Ti4—Cr4xiv41.98 (10)
O5v—Sr—O7i56.59 (10)O1—Ti4—Cr4xiv42.29 (10)
O5ii—Sr—O7i109.64 (11)O3xiii—Ti4—Cr4xiv138.02 (10)
O5vi—Sr—O7i53.40 (11)O4xiii—Ti4—Cr4xiv137.44 (10)
O7v—Sr—O7i113.71 (6)O6ii—Ti4—Cr4xiv90.37 (10)
O7vii—Sr—O7i87.00 (9)O7xiii—Ti4—Cr4xiv91.14 (10)
O7ii—Sr—O7i56.78 (12)O2—Ti4—Ti4xiv41.98 (10)
O8i—Sr—Li38.39 (9)O1—Ti4—Ti4xiv42.29 (10)
O8ii—Sr—Li38.39 (9)O3xiii—Ti4—Ti4xiv138.02 (10)
O6iii—Sr—Li122.67 (19)O4xiii—Ti4—Ti4xiv137.44 (10)
O6iv—Sr—Li122.67 (19)O6ii—Ti4—Ti4xiv90.37 (10)
O3—Sr—Li70.2 (2)O7xiii—Ti4—Ti4xiv91.14 (10)
O5v—Sr—Li112.9 (2)Cr4xiv—Ti4—Ti4xiv0.00 (4)
O5ii—Sr—Li96.11 (10)O2—Ti4—Cr4xvii138.02 (10)
O5vi—Sr—Li96.11 (10)O1—Ti4—Cr4xvii137.71 (10)
O7v—Sr—Li64.8 (2)O3xiii—Ti4—Cr4xvii41.98 (10)
O7vii—Sr—Li64.8 (2)O4xiii—Ti4—Cr4xvii42.56 (10)
O7ii—Sr—Li147.79 (12)O6ii—Ti4—Cr4xvii89.63 (10)
O7i—Sr—Li147.79 (12)O7xiii—Ti4—Cr4xvii88.86 (10)
O8i—Sr—Ti1viii101.68 (8)Cr4xiv—Ti4—Cr4xvii180.00 (6)
O8ii—Sr—Ti1viii34.72 (7)Ti4xiv—Ti4—Cr4xvii180.00 (6)
O6iii—Sr—Ti1viii151.51 (7)O2—Ti4—Ti4xvii138.02 (10)
O6iv—Sr—Ti1viii89.09 (7)O1—Ti4—Ti4xvii137.71 (10)
O3—Sr—Ti1viii97.02 (6)O3xiii—Ti4—Ti4xvii41.98 (10)
O5v—Sr—Ti1viii84.59 (6)O4xiii—Ti4—Ti4xvii42.56 (10)
O5ii—Sr—Ti1viii33.89 (10)O6ii—Ti4—Ti4xvii89.63 (10)
O5vi—Sr—Ti1viii146.00 (10)O7xiii—Ti4—Ti4xvii88.86 (10)
O7v—Sr—Ti1viii35.13 (7)Cr4xiv—Ti4—Ti4xvii180.00 (6)
O7vii—Sr—Ti1viii89.48 (7)Ti4xiv—Ti4—Ti4xvii180.00 (6)
O7ii—Sr—Ti1viii84.59 (6)Cr4xvii—Ti4—Ti4xvii0.00 (4)
O7i—Sr—Ti1viii135.26 (7)O1—Li—O4v107.6 (7)
Li—Sr—Ti1viii63.46 (8)O1—Li—O8ii112.7 (4)
O8i—Sr—Ti1ix34.72 (7)O4v—Li—O8ii109.4 (4)
O8ii—Sr—Ti1ix101.68 (8)O1—Li—O8i112.7 (4)
O6iii—Sr—Ti1ix89.09 (7)O4v—Li—O8i109.4 (4)
O6iv—Sr—Ti1ix151.51 (7)O8ii—Li—O8i105.2 (6)
O3—Sr—Ti1ix97.02 (6)O1—Li—Sr146.8 (6)
O5v—Sr—Ti1ix84.59 (6)O4v—Li—Sr105.6 (5)
O5ii—Sr—Ti1ix146.00 (10)O8ii—Li—Sr54.6 (3)
O5vi—Sr—Ti1ix33.89 (10)O8i—Li—Sr54.6 (3)
O7v—Sr—Ti1ix89.48 (7)O1—Li—Ti4xiv30.72 (16)
O7vii—Sr—Ti1ix35.13 (7)O4v—Li—Ti4xiv121.3 (5)
O7ii—Sr—Ti1ix135.26 (7)O8ii—Li—Ti4xiv123.1 (5)
O7i—Sr—Ti1ix84.59 (6)O8i—Li—Ti4xiv82.0 (3)
Li—Sr—Ti1ix63.46 (8)Sr—Li—Ti4xiv124.8 (4)
Ti1viii—Sr—Ti1ix115.59 (4)O1—Li—Ti430.72 (16)
O5x—Ti1—O8x95.14 (15)O4v—Li—Ti4121.3 (5)
O5x—Ti1—O8xi95.14 (15)O8ii—Li—Ti482.0 (3)
O8x—Ti1—O8xi82.23 (19)O8i—Li—Ti4123.1 (5)
O5x—Ti1—O7xii92.19 (14)Sr—Li—Ti4124.8 (4)
O8x—Ti1—O7xii169.59 (15)Ti4xiv—Li—Ti451.20 (18)
O8xi—Ti1—O7xii89.78 (13)O1—Li—Ti4viii121.9 (5)
O5x—Ti1—O7xiii92.19 (14)O4v—Li—Ti4viii30.90 (16)
O8x—Ti1—O7xiii89.78 (13)O8ii—Li—Ti4viii78.5 (3)
O8xi—Ti1—O7xiii169.59 (15)O8i—Li—Ti4viii118.8 (5)
O7xii—Ti1—O7xiii97.3 (2)Sr—Li—Ti4viii87.6 (3)
O5x—Ti1—O1172.9 (2)Ti4xiv—Li—Ti4viii147.0 (4)
O8x—Ti1—O190.24 (14)Ti4—Li—Ti4viii117.9 (2)
O8xi—Ti1—O190.24 (14)O1—Li—Ti4xviii121.9 (5)
O7xii—Ti1—O183.11 (13)O4v—Li—Ti4xviii30.90 (16)
O7xiii—Ti1—O183.11 (13)O8ii—Li—Ti4xviii118.8 (5)
O5x—Ti1—Ti2x95.67 (15)O8i—Li—Ti4xviii78.5 (3)
O8x—Ti1—Ti2x41.13 (10)Sr—Li—Ti4xviii87.6 (3)
O8xi—Ti1—Ti2x41.13 (10)Ti4xiv—Li—Ti4xviii117.9 (2)
O7xii—Ti1—Ti2x130.72 (10)Ti4—Li—Ti4xviii147.0 (4)
O7xiii—Ti1—Ti2x130.72 (10)Ti4viii—Li—Ti4xviii50.83 (19)
O1—Ti1—Ti2x91.48 (14)O1—Li—Ti2vi84.8 (3)
O5x—Ti1—Cr4xiv134.32 (12)O4v—Li—Ti2vi121.64 (19)
O8x—Ti1—Cr4xiv130.52 (11)O8ii—Li—Ti2vi117.7 (5)
O8xi—Ti1—Cr4xiv90.69 (10)O8i—Li—Ti2vi27.94 (17)
O7xii—Ti1—Cr4xiv42.47 (9)Sr—Li—Ti2vi78.0 (2)
O7xiii—Ti1—Cr4xiv89.46 (10)Ti4xiv—Li—Ti2vi54.04 (13)
O1—Ti1—Cr4xiv40.65 (9)Ti4—Li—Ti2vi98.4 (3)
Ti2x—Ti1—Cr4xiv117.03 (5)Ti4viii—Li—Ti2vi142.6 (3)
O5x—Ti1—Ti4xiv134.32 (12)Ti4xviii—Li—Ti2vi93.79 (11)
O8x—Ti1—Ti4xiv130.52 (11)Li—O1—Ti4xiv119.0 (3)
O8xi—Ti1—Ti4xiv90.69 (10)Li—O1—Ti4119.0 (3)
O7xii—Ti1—Ti4xiv42.47 (9)Ti4xiv—O1—Ti495.4 (2)
O7xiii—Ti1—Ti4xiv89.46 (10)Li—O1—Ti1124.4 (5)
O1—Ti1—Ti4xiv40.65 (9)Ti4xiv—O1—Ti196.38 (17)
Ti2x—Ti1—Ti4xiv117.03 (5)Ti4—O1—Ti196.38 (17)
Cr4xiv—Ti1—Ti4xiv0.00 (3)Ti2—O2—Ti4130.85 (12)
O8xiv—Ti2—O886.3 (2)Ti2—O2—Ti4xiv130.85 (12)
O8xiv—Ti2—O294.59 (15)Ti4—O2—Ti4xiv96.0 (2)
O8—Ti2—O294.59 (15)Ti4ii—O3—Ti4i96.0 (2)
O8xiv—Ti2—O4xv94.29 (14)Ti4ii—O3—Ti398.83 (17)
O8—Ti2—O4xv94.29 (14)Ti4i—O3—Ti398.83 (17)
O2—Ti2—O4xv167.8 (2)Ti4ii—O3—Sr98.65 (16)
O8xiv—Ti2—O6173.26 (14)Ti4i—O3—Sr98.65 (16)
O8—Ti2—O695.02 (14)Ti3—O3—Sr153.7 (2)
O2—Ti2—O691.89 (14)Ti4ii—O4—Ti4i94.9 (2)
O4xv—Ti2—O679.04 (13)Ti4ii—O4—Lixix118.2 (3)
O8xiv—Ti2—O6xiv95.02 (13)Ti4i—O4—Lixix118.2 (3)
O8—Ti2—O6xiv173.26 (14)Ti4ii—O4—Ti2iv100.93 (17)
O2—Ti2—O6xiv91.89 (14)Ti4i—O4—Ti2iv100.93 (17)
O4xv—Ti2—O6xiv79.04 (13)Lixix—O4—Ti2iv119.5 (4)
O6—Ti2—O6xiv82.90 (18)Ti3—O5—Ti1xvi161.9 (3)
O8xiv—Ti2—Ti1xvi43.18 (10)Ti3—O5—Srxix100.5 (2)
O8—Ti2—Ti1xvi43.18 (10)Ti1xvi—O5—Srxix97.52 (19)
O2—Ti2—Ti1xvi95.05 (16)Ti3—O5—Srxiii89.87 (10)
O4xv—Ti2—Ti1xvi97.13 (14)Ti1xvi—O5—Srxiii86.62 (10)
O6—Ti2—Ti1xvi137.99 (9)Srxix—O5—Srxiii101.18 (9)
O6xiv—Ti2—Ti1xvi137.99 (9)Ti3—O5—Srxx89.87 (10)
O8xiv—Ti2—Cr4xii92.12 (10)Ti1xvi—O5—Srxx86.62 (10)
O8—Ti2—Cr4xii133.20 (11)Srxix—O5—Srxx101.18 (9)
O2—Ti2—Cr4xii132.09 (12)Srxiii—O5—Srxx157.29 (19)
O4xv—Ti2—Cr4xii39.12 (9)Ti3xiii—O6—Ti4xiii128.03 (18)
O6—Ti2—Cr4xii82.14 (10)Ti3xiii—O6—Ti2128.53 (17)
O6xiv—Ti2—Cr4xii40.24 (9)Ti4xiii—O6—Ti294.84 (14)
Ti1xvi—Ti2—Cr4xii120.69 (5)Ti3xiii—O6—Srxv96.04 (13)
O8xiv—Ti2—Ti4xii92.12 (10)Ti4xiii—O6—Srxv98.43 (13)
O8—Ti2—Ti4xii133.20 (11)Ti2—O6—Srxv105.19 (13)
O2—Ti2—Ti4xii132.09 (12)Ti1ii—O7—Ti4ii96.24 (14)
O4xv—Ti2—Ti4xii39.12 (9)Ti1ii—O7—Ti3166.92 (19)
O6—Ti2—Ti4xii82.14 (10)Ti4ii—O7—Ti395.42 (14)
O6xiv—Ti2—Ti4xii40.24 (9)Ti1ii—O7—Srxix85.46 (11)
Ti1xvi—Ti2—Ti4xii120.69 (5)Ti4ii—O7—Srxix134.39 (15)
Cr4xii—Ti2—Ti4xii0.000 (15)Ti3—O7—Srxix90.61 (12)
O8xiv—Ti2—Cr4xiii133.20 (11)Ti1ii—O7—Srxiii85.12 (11)
O8—Ti2—Cr4xiii92.12 (10)Ti4ii—O7—Srxiii132.61 (14)
O2—Ti2—Cr4xiii132.09 (12)Ti3—O7—Srxiii82.63 (10)
O4xv—Ti2—Cr4xiii39.12 (9)Srxix—O7—Srxiii93.00 (9)
O6—Ti2—Cr4xiii40.24 (9)Ti2—O8—Ti1xvi95.70 (15)
O6xiv—Ti2—Cr4xiii82.14 (10)Ti2—O8—Lixiii121.7 (4)
Ti1xvi—Ti2—Cr4xiii120.69 (5)Ti1xvi—O8—Lixiii124.0 (4)
Cr4xii—Ti2—Cr4xiii56.50 (4)Ti2—O8—Srxiii134.64 (15)
Ti4xii—Ti2—Cr4xiii56.50 (4)Ti1xvi—O8—Srxiii94.49 (12)
O5—Ti3—O6ii99.07 (14)Lixiii—O8—Srxiii87.0 (3)
Symmetry codes: (i) x+1/2, y+1/2, z1/2; (ii) x+1/2, y, z1/2; (iii) x, y+1/2, z1; (iv) x, y, z1; (v) x1/2, y, z+1/2; (vi) x+1/2, y+1, z1/2; (vii) x1/2, y+1/2, z+1/2; (viii) x, y, z+1; (ix) x, y+1, z+1; (x) x1/2, y, z+3/2; (xi) x1/2, y+1/2, z+3/2; (xii) x+1/2, y+1/2, z+1/2; (xiii) x+1/2, y, z+1/2; (xiv) x, y+1/2, z; (xv) x, y, z+1; (xvi) x+1/2, y, z+3/2; (xvii) x, y1/2, z; (xviii) x, y+1/2, z+1; (xix) x+1/2, y, z+1/2; (xx) x+1/2, y+1, z+1/2.
(srfei) top
Crystal data top
FeLiO11SrTi4Z = 16
Mr = 518.01F(000) = 3536
Othorhombic, PbcnDx = 4.34 Mg m3
a = 13.875 (6) ÅMo Kα radiation, λ = 0.71073 Å
b = 11.492 (3) ÅCell parameters from 1588 reflections
c = 19.887 (3) Åθ = 1.0–26.6°
α = 90°µ = 12.14 mm1
β = 90°T = 293 K
γ = 90°Block, orange
V = 3171.1 (17) Å30.08 × 0.06 × 0.06 mm
Data collection top
Four-circle
diffractometer
4841 reflections with I > 2σ(I)
phi and ω scansRint = 0.050
Absorption correction: multi-scan
?
θmax = 35.0°, θmin = 2.1°
Tmin = 0.38, Tmax = 0.48h = 2222
51725 measured reflectionsk = 1818
6973 independent reflectionsl = 3232
Refinement top
Refinement on F20 restraints
Least-squares matrix: full w = 1/[σ2(Fo2) + (0.0282P)2 + 14.933P]
where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.053(Δ/σ)max = 0.002
wR(F2) = 0.085Δρmax = 1.54 e Å3
S = 1.21Δρmin = 1.37 e Å3
6973 reflectionsExtinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
327 parametersExtinction coefficient: 0.00057 (7)
Crystal data top
FeLiO11SrTi4γ = 90°
Mr = 518.01V = 3171.1 (17) Å3
Othorhombic, PbcnZ = 16
a = 13.875 (6) ÅMo Kα radiation
b = 11.492 (3) ŵ = 12.14 mm1
c = 19.887 (3) ÅT = 293 K
α = 90°0.08 × 0.06 × 0.06 mm
β = 90°
Data collection top
Four-circle
diffractometer
6973 independent reflections
Absorption correction: multi-scan
?
4841 reflections with I > 2σ(I)
Tmin = 0.38, Tmax = 0.48Rint = 0.050
51725 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0530 restraints
wR(F2) = 0.085 w = 1/[σ2(Fo2) + (0.0282P)2 + 14.933P]
where P = (Fo2 + 2Fc2)/3
S = 1.21Δρmax = 1.54 e Å3
6973 reflectionsΔρmin = 1.37 e Å3
327 parameters
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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
O10.06437 (18)0.3885 (2)0.44954 (12)0.0096 (5)
O20.07046 (18)0.3645 (2)0.20102 (13)0.0098 (5)
O30.0808 (2)0.1265 (2)0.20612 (13)0.0129 (5)
O40.08405 (19)0.0003 (2)0.32871 (12)0.0085 (5)
O50.08513 (18)0.1441 (2)0.46078 (12)0.0080 (5)
O60.08619 (19)0.2429 (2)0.08245 (12)0.0091 (5)
O70.23847 (18)0.1292 (2)0.12508 (11)0.0069 (4)
O80.24439 (18)0.3759 (2)0.12290 (11)0.0084 (5)
O90.24475 (18)0.3673 (2)0.37491 (11)0.0074 (4)
O100.24530 (18)0.25044 (19)0.25012 (12)0.0064 (5)
O110.24820 (17)0.00102 (19)0.24769 (12)0.0071 (5)
O120.25497 (19)0.25188 (19)0.49685 (12)0.0077 (5)
O130.25639 (19)0.0032 (2)0.00015 (12)0.0082 (5)
O140.26292 (18)0.1166 (2)0.37332 (11)0.0065 (4)
O150.39781 (18)0.4902 (2)0.07817 (12)0.0067 (4)
O160.39795 (18)0.2543 (2)0.32870 (12)0.0067 (5)
O170.41066 (18)0.3935 (2)0.21458 (12)0.0075 (4)
O180.41126 (19)0.0014 (2)0.32583 (12)0.0082 (5)
O190.41337 (17)0.3547 (2)0.46363 (12)0.0071 (4)
O200.41337 (18)0.2441 (2)0.07171 (13)0.0073 (5)
O210.41744 (18)0.1084 (2)0.21053 (12)0.0074 (4)
O220.41731 (18)0.1247 (2)0.45395 (12)0.0081 (5)
Li10.4598 (5)0.2563 (6)0.1683 (3)0.0136 (13)
Li20.4609 (4)0.4955 (5)0.4219 (3)0.0034 (10)
Ti100.01481 (8)0.250.01061 (17)0.8
Fe100.01481 (8)0.250.01061 (17)0.2
Ti200.48032 (8)0.250.00940 (16)0.8
Fe200.48032 (8)0.250.00940 (16)0.2
Ti30.00093 (5)0.26532 (6)0.49256 (3)0.00945 (12)0.8
Fe30.00093 (5)0.26532 (6)0.49256 (3)0.00945 (12)0.2
Ti40.16455 (5)0.26130 (5)0.17010 (3)0.00803 (12)0.8
Fe40.16455 (5)0.26130 (5)0.17010 (3)0.00803 (12)0.2
Ti50.16513 (4)0.48778 (5)0.41834 (3)0.00609 (11)0.8
Fe50.16513 (4)0.48778 (5)0.41834 (3)0.00609 (11)0.2
Ti60.17391 (4)0.12228 (6)0.03893 (3)0.00863 (12)0.8
Fe60.17391 (4)0.12228 (6)0.03893 (3)0.00863 (12)0.2
Ti70.32550 (5)0.49506 (6)0.16478 (3)0.01168 (14)0.8
Fe70.32550 (5)0.49506 (6)0.16478 (3)0.01168 (14)0.2
Ti80.32731 (5)0.39126 (6)0.29695 (3)0.00946 (12)0.8
Fe80.32731 (5)0.39126 (6)0.29695 (3)0.00946 (12)0.2
Ti90.33018 (5)0.24059 (6)0.41531 (3)0.00892 (13)0.8
Fe90.33018 (5)0.24059 (6)0.41531 (3)0.00892 (13)0.2
Ti100.33157 (4)0.35533 (6)0.03626 (3)0.01031 (13)0.8
Fe100.33157 (4)0.35533 (6)0.03626 (3)0.01031 (13)0.2
Ti110.33165 (4)0.12151 (5)0.27913 (3)0.00860 (12)0.8
Fe110.33165 (4)0.12151 (5)0.27913 (3)0.00860 (12)0.2
Sr20.40742 (3)0.01451 (3)0.089956 (18)0.01204 (9)
Sr10.09599 (3)0.23260 (3)0.337918 (18)0.01299 (9)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
O10.0067 (11)0.0090 (11)0.0132 (12)0.0015 (9)0.0003 (9)0.0036 (9)
O20.0071 (11)0.0105 (12)0.0118 (11)0.0011 (9)0.0006 (9)0.0028 (9)
O30.0117 (13)0.0154 (14)0.0116 (12)0.0043 (10)0.0010 (9)0.0048 (10)
O40.0083 (12)0.0115 (12)0.0059 (10)0.0015 (9)0.0014 (8)0.0002 (8)
O50.0072 (11)0.0090 (11)0.0080 (10)0.0020 (9)0.0004 (8)0.0002 (9)
O60.0077 (12)0.0121 (12)0.0075 (11)0.0009 (9)0.0008 (8)0.0008 (9)
O70.0053 (10)0.0089 (11)0.0063 (10)0.0009 (9)0.0004 (8)0.0004 (8)
O80.0072 (11)0.0102 (12)0.0077 (10)0.0005 (9)0.0002 (8)0.0023 (8)
O90.0092 (12)0.0064 (11)0.0065 (10)0.0036 (9)0.0008 (8)0.0004 (8)
O100.0065 (12)0.0060 (11)0.0068 (10)0.0006 (8)0.0006 (8)0.0002 (8)
O110.0054 (12)0.0081 (12)0.0079 (10)0.0011 (9)0.0006 (8)0.0002 (8)
O120.0082 (12)0.0073 (12)0.0075 (10)0.0022 (9)0.0009 (8)0.0009 (8)
O130.0104 (12)0.0086 (12)0.0056 (10)0.0010 (9)0.0013 (8)0.0002 (8)
O140.0069 (10)0.0057 (11)0.0068 (10)0.0011 (9)0.0002 (8)0.0005 (8)
O150.0042 (11)0.0066 (11)0.0092 (11)0.0002 (8)0.0013 (8)0.0002 (8)
O160.0067 (11)0.0053 (11)0.0082 (10)0.0002 (8)0.0012 (8)0.0007 (8)
O170.0083 (11)0.0071 (11)0.0071 (10)0.0004 (9)0.0005 (8)0.0007 (8)
O180.0068 (12)0.0099 (12)0.0080 (10)0.0012 (8)0.0009 (8)0.0007 (8)
O190.0061 (11)0.0075 (11)0.0077 (10)0.0011 (9)0.0013 (8)0.0010 (8)
O200.0048 (11)0.0092 (11)0.0077 (10)0.0014 (8)0.0009 (8)0.0008 (8)
O210.0061 (11)0.0097 (11)0.0064 (10)0.0005 (9)0.0011 (8)0.0017 (9)
O220.0060 (11)0.0084 (11)0.0099 (11)0.0001 (9)0.0004 (8)0.0002 (8)
Li10.017 (4)0.009 (3)0.016 (3)0.001 (2)0.001 (3)0.000 (2)
Li20.003 (3)0.001 (2)0.005 (2)0.0027 (19)0.0030 (19)0.0004 (18)
Ti10.0097 (4)0.0087 (4)0.0134 (4)00.0001 (3)0
Fe10.0097 (4)0.0087 (4)0.0134 (4)00.0001 (3)0
Ti20.0095 (4)0.0099 (4)0.0089 (4)00.0008 (3)0
Fe20.0095 (4)0.0099 (4)0.0089 (4)00.0008 (3)0
Ti30.0096 (3)0.0097 (3)0.0091 (3)0.0011 (2)0.0001 (2)0.0007 (2)
Fe30.0096 (3)0.0097 (3)0.0091 (3)0.0011 (2)0.0001 (2)0.0007 (2)
Ti40.0090 (3)0.0080 (3)0.0071 (2)0.0012 (2)0.0002 (2)0.00090 (19)
Fe40.0090 (3)0.0080 (3)0.0071 (2)0.0012 (2)0.0002 (2)0.00090 (19)
Ti50.0063 (3)0.0063 (2)0.0057 (2)0.00095 (19)0.00107 (18)0.00041 (19)
Fe50.0063 (3)0.0063 (2)0.0057 (2)0.00095 (19)0.00107 (18)0.00041 (19)
Ti60.0094 (3)0.0082 (3)0.0083 (2)0.0002 (2)0.00113 (19)0.0001 (2)
Fe60.0094 (3)0.0082 (3)0.0083 (2)0.0002 (2)0.00113 (19)0.0001 (2)
Ti70.0135 (3)0.0118 (3)0.0097 (3)0.0013 (2)0.0002 (2)0.0006 (2)
Fe70.0135 (3)0.0118 (3)0.0097 (3)0.0013 (2)0.0002 (2)0.0006 (2)
Ti80.0092 (3)0.0092 (3)0.0100 (3)0.0015 (2)0.0011 (2)0.0017 (2)
Fe80.0092 (3)0.0092 (3)0.0100 (3)0.0015 (2)0.0011 (2)0.0017 (2)
Ti90.0104 (3)0.0090 (3)0.0074 (3)0.0007 (2)0.0000 (2)0.0004 (2)
Fe90.0104 (3)0.0090 (3)0.0074 (3)0.0007 (2)0.0000 (2)0.0004 (2)
Ti100.0098 (3)0.0092 (3)0.0119 (3)0.0008 (2)0.0006 (2)0.0023 (2)
Fe100.0098 (3)0.0092 (3)0.0119 (3)0.0008 (2)0.0006 (2)0.0023 (2)
Ti110.0091 (3)0.0089 (3)0.0078 (2)0.0004 (2)0.00020 (19)0.0007 (2)
Fe110.0091 (3)0.0089 (3)0.0078 (2)0.0004 (2)0.00020 (19)0.0007 (2)
Sr20.01218 (18)0.01196 (17)0.01197 (16)0.00063 (12)0.00022 (12)0.00090 (12)
Sr10.01314 (18)0.01443 (17)0.01140 (16)0.00246 (13)0.00060 (12)0.00117 (12)
Geometric parameters (Å, º) top
O1—Ti31.874 (3)Li1—Ti113.228 (7)
O1—Ti51.908 (3)Li1—Sr23.267 (7)
O1—Sr2i2.731 (3)Li1—Ti73.317 (7)
O1—Sr12.886 (3)Li1—Ti9vii3.360 (7)
O1—Sr2ii3.032 (3)Li1—Ti103.369 (7)
O2—Ti41.868 (3)Li1—Ti8vii3.408 (7)
O2—Ti21.918 (3)Li2—O4iii1.956 (6)
O2—Sr2iii2.819 (3)Li2—O15vii1.961 (7)
O2—Sr1iv2.869 (3)Li2—O5iii1.981 (6)
O2—Sr13.136 (3)Li2—Ti6ii3.279 (6)
O3—Ti11.915 (3)Li2—Sr1iii3.292 (6)
O3—Ti42.065 (3)Li2—Li2xii3.293 (11)
O3—Ti7v2.156 (3)Li2—Ti83.323 (6)
O3—Sr1iv2.876 (3)Li2—Ti10xiii3.367 (6)
O3—Sr12.898 (3)Li2—Ti6viii3.386 (6)
O4—Ti8v1.866 (3)Ti1—O3iv1.915 (3)
O4—Li2v1.956 (6)Ti1—O4iv1.959 (3)
O4—Ti11.959 (3)Ti1—O17xiv1.994 (3)
O4—Sr12.681 (3)Ti1—O17v1.994 (3)
O5—Ti10ii1.895 (2)Ti1—Fe8xiv2.9375 (12)
O5—Ti31.925 (3)Ti1—Ti8xiv2.9375 (12)
O5—Li2v1.981 (6)Ti1—Fe8v2.9375 (12)
O5—Sr12.651 (2)Ti1—Ti8v2.9375 (12)
O6—Ti3iv1.937 (3)Ti2—O2iv1.918 (3)
O6—Ti62.038 (3)Ti2—O18iii1.962 (3)
O6—Ti42.065 (3)Ti2—O18i1.962 (3)
O6—Sr1iv2.985 (3)Ti2—O21i2.024 (3)
O6—Sr2iii3.126 (3)Ti2—O21iii2.024 (3)
O7—Ti61.935 (2)Ti2—Fe11iii2.9025 (12)
O7—Ti7v1.947 (2)Ti2—Ti11iii2.9025 (12)
O7—Ti42.039 (2)Ti2—Fe11i2.9025 (12)
O7—Sr22.779 (3)Ti2—Ti11i2.9025 (12)
O8—Ti71.958 (3)Ti3—O6iv1.937 (3)
O8—Ti41.960 (2)Ti3—O20ii1.976 (3)
O8—Ti102.118 (2)Ti3—O22xv2.019 (3)
O8—Sr2iii2.721 (3)Ti3—O19xv2.034 (3)
O9—Ti81.947 (2)Ti3—Fe10ii2.8424 (12)
O9—Ti51.970 (2)Ti3—Ti10ii2.8424 (12)
O9—Ti92.042 (2)Ti3—Fe9xv2.9957 (12)
O9—Sr12.683 (3)Ti3—Ti9xv2.9957 (12)
O10—Ti41.950 (2)Ti4—Ti63.0619 (9)
O10—Ti111.991 (2)Ti4—Fe7v3.0646 (12)
O10—Ti82.187 (2)Ti4—Ti7v3.0646 (12)
O10—Sr12.717 (3)Ti5—O13ii1.961 (2)
O11—Ti8v1.910 (2)Ti5—O14iii1.997 (2)
O11—Ti111.910 (2)Ti5—O22iii2.070 (3)
O11—Ti7v1.942 (2)Ti5—O18iii2.129 (3)
O12—Ti10ii1.891 (2)Ti5—Fe9iii2.9067 (12)
O12—Ti91.933 (3)Ti5—Ti9iii2.9067 (12)
O12—Ti6ii1.940 (2)Ti5—Ti11iii3.1668 (9)
O13—Ti61.944 (2)Ti5—Sr13.4755 (10)
O13—Ti5vi1.961 (2)Ti6—O12vi1.940 (2)
O13—Ti10v2.212 (3)Ti6—O19vi1.944 (2)
O13—Sr22.756 (3)Ti6—O15v1.976 (3)
O14—Ti91.897 (2)Ti6—Fe7v2.8987 (9)
O14—Ti5v1.997 (2)Ti6—Ti7v2.8987 (9)
O14—Ti112.103 (2)Ti6—Fe9vi2.9208 (9)
O14—Sr12.764 (3)Ti6—Ti9vi2.9208 (9)
O15—Li2vii1.961 (7)Ti7—O11iii1.942 (2)
O15—Ti6iii1.976 (3)Ti7—O7iii1.947 (2)
O15—Ti101.986 (3)Ti7—O3iii2.156 (3)
O15—Ti71.994 (2)Ti7—Ti82.8867 (9)
O16—Ti81.959 (3)Ti7—Fe6iii2.8987 (9)
O16—Ti91.969 (3)Ti7—Ti6iii2.8987 (9)
O16—Li1vii1.975 (8)Ti8—O4iii1.866 (3)
O16—Ti112.036 (3)Ti8—O11iii1.910 (2)
O17—Ti71.934 (3)Ti8—Ti92.9224 (9)
O17—Li11.949 (7)Ti9—Fe5v2.9067 (12)
O17—Ti1viii1.994 (3)Ti9—Ti5v2.9067 (12)
O17—Ti82.005 (3)Ti9—Fe6ii2.9208 (9)
O18—Ti2ix1.962 (3)Ti9—Ti6ii2.9208 (9)
O18—Ti111.997 (3)Ti10—O12vi1.891 (2)
O18—Ti5v2.129 (3)Ti10—O5vi1.895 (2)
O18—Sr2vii3.026 (3)Ti10—O13iii2.212 (3)
O18—Sr1v3.100 (3)Ti10—Fe3vi2.8424 (12)
O19—Li21.934 (6)Ti10—Ti3vi2.8424 (12)
O19—Ti6ii1.944 (2)Ti11—Fe2ix2.9025 (12)
O19—Ti91.994 (3)Ti11—Ti2ix2.9025 (12)
O19—Ti3x2.034 (3)Sr2—O8v2.721 (3)
O20—Ti101.849 (3)Sr2—O1ix2.731 (3)
O20—Ti3vi1.976 (3)Sr2—O2v2.819 (3)
O20—Li12.030 (7)Sr2—O22vii2.877 (3)
O20—Sr22.665 (3)Sr2—O18vii3.026 (3)
O21—Ti111.817 (2)Sr2—O1vi3.032 (3)
O21—Li11.985 (7)Sr2—O6v3.126 (3)
O21—Ti2ix2.024 (3)Sr2—O22xvi3.145 (3)
O21—Sr22.633 (2)Sr2—Ti3vi3.4310 (9)
O22—Ti91.956 (3)Sr2—Ti2ix3.4547 (6)
O22—Ti3x2.019 (3)Sr1—O2iv2.869 (3)
O22—Ti5v2.070 (3)Sr1—O3iv2.876 (3)
O22—Sr2vii2.877 (3)Sr1—O6iv2.985 (3)
O22—Sr2xi3.145 (3)Sr1—O18iii3.100 (3)
Li1—O16vii1.975 (8)Sr1—Li2v3.292 (6)
Ti3—O1—Ti5160.80 (15)Ti9iii—Ti5—Ti11iii59.77 (2)
Ti3—O1—Sr2i99.05 (10)O1—Ti5—Sr156.15 (8)
Ti5—O1—Sr2i100.01 (10)O13ii—Ti5—Sr1125.45 (7)
Ti3—O1—Sr187.33 (10)O9—Ti5—Sr150.23 (8)
Ti5—O1—Sr190.56 (9)O14iii—Ti5—Sr1123.85 (7)
Sr2i—O1—Sr1103.25 (8)O22iii—Ti5—Sr1130.26 (8)
Ti3—O1—Sr2ii85.29 (9)O18iii—Ti5—Sr161.77 (7)
Ti5—O1—Sr2ii89.15 (9)Fe9iii—Ti5—Sr1147.15 (3)
Sr2i—O1—Sr2ii99.96 (8)Ti9iii—Ti5—Sr1147.15 (3)
Sr1—O1—Sr2ii156.47 (10)Ti11iii—Ti5—Sr190.63 (2)
Ti4—O2—Ti2164.66 (15)O7—Ti6—O12vi96.64 (10)
Ti4—O2—Sr2iii93.11 (10)O7—Ti6—O1396.19 (10)
Ti2—O2—Sr2iii91.66 (10)O12vi—Ti6—O1393.12 (11)
Ti4—O2—Sr1iv97.95 (10)O7—Ti6—O19vi164.76 (11)
Ti2—O2—Sr1iv95.37 (10)O12vi—Ti6—O19vi83.29 (11)
Sr2iii—O2—Sr1iv101.50 (8)O13—Ti6—O19vi99.03 (11)
Ti4—O2—Sr184.26 (9)O7—Ti6—O15v85.13 (10)
Ti2—O2—Sr187.25 (9)O12vi—Ti6—O15v177.53 (11)
Sr2iii—O2—Sr1164.49 (10)O13—Ti6—O15v84.96 (10)
Sr1iv—O2—Sr194.01 (7)O19vi—Ti6—O15v95.46 (11)
Ti1—O3—Ti4172.16 (16)O7—Ti6—O682.66 (10)
Ti1—O3—Ti7v93.26 (12)O12vi—Ti6—O688.84 (11)
Ti4—O3—Ti7v93.09 (11)O13—Ti6—O6177.83 (11)
Ti1—O3—Sr1iv85.63 (10)O19vi—Ti6—O682.10 (11)
Ti4—O3—Sr1iv93.23 (10)O15v—Ti6—O693.10 (11)
Ti7v—O3—Sr1iv134.05 (12)O7—Ti6—Fe7v41.84 (7)
Ti1—O3—Sr184.98 (9)O12vi—Ti6—Fe7v138.32 (8)
Ti4—O3—Sr187.55 (9)O13—Ti6—Fe7v89.18 (7)
Ti7v—O3—Sr1126.56 (11)O19vi—Ti6—Fe7v137.35 (8)
Sr1iv—O3—Sr199.16 (9)O15v—Ti6—Fe7v43.35 (7)
Ti8v—O4—Li2v120.8 (2)O6—Ti6—Fe7v88.74 (8)
Ti8v—O4—Ti1100.30 (12)O7—Ti6—Ti7v41.84 (7)
Li2v—O4—Ti1124.7 (2)O12vi—Ti6—Ti7v138.32 (8)
Ti8v—O4—Sr1130.63 (13)O13—Ti6—Ti7v89.18 (7)
Li2v—O4—Sr189.05 (18)O19vi—Ti6—Ti7v137.35 (8)
Ti1—O4—Sr190.39 (10)O15v—Ti6—Ti7v43.35 (7)
Ti10ii—O5—Ti396.17 (11)O6—Ti6—Ti7v88.74 (8)
Ti10ii—O5—Li2v120.6 (2)Fe7v—Ti6—Ti7v0.00 (4)
Ti3—O5—Li2v123.8 (2)O7—Ti6—Fe9vi137.06 (8)
Ti10ii—O5—Sr1133.97 (12)O12vi—Ti6—Fe9vi40.96 (7)
Ti3—O5—Sr193.41 (10)O13—Ti6—Fe9vi93.30 (7)
Li2v—O5—Sr189.38 (18)O19vi—Ti6—Fe9vi42.78 (7)
Ti3iv—O6—Ti697.81 (11)O15v—Ti6—Fe9vi137.50 (8)
Ti3iv—O6—Ti4164.77 (15)O6—Ti6—Fe9vi88.79 (8)
Ti6—O6—Ti496.53 (11)Fe7v—Ti6—Fe9vi177.45 (3)
Ti3iv—O6—Sr1iv83.43 (9)Ti7v—Ti6—Fe9vi177.45 (3)
Ti6—O6—Sr1iv134.75 (12)O7—Ti6—Ti9vi137.06 (8)
Ti4—O6—Sr1iv90.12 (9)O12vi—Ti6—Ti9vi40.96 (7)
Ti3iv—O6—Sr2iii85.52 (9)O13—Ti6—Ti9vi93.30 (7)
Ti6—O6—Sr2iii133.05 (11)O19vi—Ti6—Ti9vi42.78 (7)
Ti4—O6—Sr2iii80.95 (8)O15v—Ti6—Ti9vi137.50 (8)
Sr1iv—O6—Sr2iii92.20 (7)O6—Ti6—Ti9vi88.79 (8)
Ti6—O7—Ti7v96.62 (11)Fe7v—Ti6—Ti9vi177.45 (3)
Ti6—O7—Ti4100.76 (11)Ti7v—Ti6—Ti9vi177.45 (3)
Ti7v—O7—Ti4100.50 (11)Fe9vi—Ti6—Ti9vi0.00 (4)
Ti6—O7—Sr298.53 (9)O17—Ti7—O11iii84.73 (10)
Ti7v—O7—Sr296.36 (9)O17—Ti7—O7iii164.69 (11)
Ti4—O7—Sr2152.62 (12)O11iii—Ti7—O7iii94.38 (10)
Ti7—O8—Ti4126.22 (12)O17—Ti7—O898.45 (11)
Ti7—O8—Ti1095.50 (11)O11iii—Ti7—O894.77 (10)
Ti4—O8—Ti10129.57 (12)O7iii—Ti7—O896.86 (11)
Ti7—O8—Sr2iii97.93 (10)O17—Ti7—O1596.78 (11)
Ti4—O8—Sr2iii94.08 (10)O11iii—Ti7—O15178.36 (11)
Ti10—O8—Sr2iii108.15 (9)O7iii—Ti7—O1584.33 (10)
Ti8—O9—Ti5125.42 (12)O8—Ti7—O1584.39 (10)
Ti8—O9—Ti994.16 (11)O17—Ti7—O3iii81.90 (11)
Ti5—O9—Ti9130.84 (12)O11iii—Ti7—O3iii88.23 (10)
Ti8—O9—Sr1108.40 (10)O7iii—Ti7—O3iii82.79 (10)
Ti5—O9—Sr195.41 (10)O8—Ti7—O3iii177.00 (10)
Ti9—O9—Sr198.21 (9)O15—Ti7—O3iii92.61 (11)
Ti4—O10—Ti11129.03 (12)O17—Ti7—Ti843.85 (7)
Ti4—O10—Ti8126.81 (11)O11iii—Ti7—Ti841.04 (7)
Ti11—O10—Ti896.56 (10)O7iii—Ti7—Ti8134.48 (7)
Ti4—O10—Sr195.23 (10)O8—Ti7—Ti895.93 (7)
Ti11—O10—Sr1102.50 (9)O15—Ti7—Ti8140.41 (8)
Ti8—O10—Sr1100.30 (9)O3iii—Ti7—Ti886.39 (7)
Ti8v—O11—Ti11130.04 (13)O17—Ti7—Fe6iii138.16 (8)
Ti8v—O11—Ti7v97.09 (11)O11iii—Ti7—Fe6iii135.81 (7)
Ti11—O11—Ti7v128.52 (12)O7iii—Ti7—Fe6iii41.54 (7)
Ti10ii—O12—Ti9130.31 (13)O8—Ti7—Fe6iii89.26 (7)
Ti10ii—O12—Ti6ii129.04 (13)O15—Ti7—Fe6iii42.85 (7)
Ti9—O12—Ti6ii97.89 (11)O3iii—Ti7—Fe6iii88.52 (7)
Ti6—O13—Ti5vi128.23 (12)Ti8—Ti7—Fe6iii174.08 (3)
Ti6—O13—Ti10v95.01 (11)O17—Ti7—Ti6iii138.16 (8)
Ti5vi—O13—Ti10v128.07 (12)O11iii—Ti7—Ti6iii135.81 (7)
Ti6—O13—Sr299.05 (10)O7iii—Ti7—Ti6iii41.54 (7)
Ti5vi—O13—Sr296.49 (10)O8—Ti7—Ti6iii89.26 (7)
Ti10v—O13—Sr2104.21 (9)O15—Ti7—Ti6iii42.85 (7)
Ti9—O14—Ti5v96.52 (11)O3iii—Ti7—Ti6iii88.52 (7)
Ti9—O14—Ti1198.55 (11)Ti8—Ti7—Ti6iii174.08 (3)
Ti5v—O14—Ti11101.11 (11)Fe6iii—Ti7—Ti6iii0.00 (2)
Ti9—O14—Sr199.31 (10)O4iii—Ti8—O11iii95.25 (11)
Ti5v—O14—Sr1152.96 (12)O4iii—Ti8—O9102.30 (11)
Ti11—O14—Sr198.05 (9)O11iii—Ti8—O9100.31 (10)
Li2vii—O15—Ti6iii118.7 (2)O4iii—Ti8—O1695.80 (12)
Li2vii—O15—Ti10119.1 (2)O11iii—Ti8—O16166.03 (11)
Ti6iii—O15—Ti10101.58 (12)O9—Ti8—O1685.65 (10)
Li2vii—O15—Ti7120.2 (2)O4iii—Ti8—O1783.56 (11)
Ti6iii—O15—Ti793.80 (11)O11iii—Ti8—O1783.62 (11)
Ti10—O15—Ti798.71 (11)O9—Ti8—O17172.52 (11)
Ti8—O16—Ti996.16 (11)O16—Ti8—O1789.15 (11)
Ti8—O16—Li1vii120.0 (2)O4iii—Ti8—O10169.81 (11)
Ti9—O16—Li1vii116.8 (2)O11iii—Ti8—O1089.14 (10)
Ti8—O16—Ti11102.71 (12)O9—Ti8—O1085.90 (10)
Ti9—O16—Ti1198.51 (11)O16—Ti8—O1078.63 (10)
Li1vii—O16—Ti11118.4 (2)O17—Ti8—O1087.80 (10)
Ti7—O17—Li1117.4 (2)O4iii—Ti8—Ti792.08 (8)
Ti7—O17—Ti1viii97.98 (12)O11iii—Ti8—Ti741.87 (7)
Li1—O17—Ti1viii121.0 (3)O9—Ti8—Ti7141.11 (8)
Ti7—O17—Ti894.23 (11)O16—Ti8—Ti7129.04 (8)
Li1—O17—Ti8125.2 (2)O17—Ti8—Ti741.92 (7)
Ti1viii—O17—Ti894.53 (10)O10—Ti8—Ti785.04 (7)
Ti2ix—O18—Ti1194.31 (11)O4iii—Ti8—Ti996.68 (8)
Ti2ix—O18—Ti5v165.37 (14)O11iii—Ti8—Ti9144.28 (8)
Ti11—O18—Ti5v100.22 (11)O9—Ti8—Ti944.19 (7)
Ti2ix—O18—Sr2vii84.83 (9)O16—Ti8—Ti942.05 (7)
Ti11—O18—Sr2vii133.08 (11)O17—Ti8—Ti9131.12 (8)
Ti5v—O18—Sr2vii86.52 (8)O10—Ti8—Ti984.93 (7)
Ti2ix—O18—Sr1v87.52 (9)Ti7—Ti8—Ti9168.07 (3)
Ti11—O18—Sr1v134.98 (11)O14—Ti9—O1298.87 (10)
Ti5v—O18—Sr1v80.99 (8)O14—Ti9—O2288.01 (11)
Sr2vii—O18—Sr1v91.92 (7)O12—Ti9—O2292.85 (11)
Li2—O19—Ti6ii115.4 (2)O14—Ti9—O1684.83 (10)
Li2—O19—Ti9122.7 (2)O12—Ti9—O16170.61 (11)
Ti6ii—O19—Ti995.75 (11)O22—Ti9—O1695.91 (11)
Li2—O19—Ti3x123.2 (2)O14—Ti9—O19172.29 (11)
Ti6ii—O19—Ti3x97.72 (11)O12—Ti9—O1982.18 (10)
Ti9—O19—Ti3x96.09 (11)O22—Ti9—O1984.31 (11)
Ti10—O20—Ti3vi95.95 (12)O16—Ti9—O1995.32 (10)
Ti10—O20—Li1120.5 (2)O14—Ti9—O994.43 (10)
Ti3vi—O20—Li1124.5 (2)O12—Ti9—O988.21 (10)
Ti10—O20—Sr2135.83 (12)O22—Ti9—O9177.16 (11)
Ti3vi—O20—Sr294.17 (9)O16—Ti9—O982.88 (10)
Li1—O20—Sr287.1 (2)O19—Ti9—O993.23 (11)
Ti11—O21—Li1116.2 (2)O14—Ti9—Fe5v43.05 (7)
Ti11—O21—Ti2ix98.04 (11)O12—Ti9—Fe5v93.54 (7)
Li1—O21—Ti2ix128.3 (2)O22—Ti9—Fe5v45.36 (8)
Ti11—O21—Sr2133.09 (12)O16—Ti9—Fe5v95.01 (8)
Li1—O21—Sr288.9 (2)O19—Ti9—Fe5v129.38 (8)
Ti2ix—O21—Sr294.88 (9)O9—Ti9—Fe5v137.22 (8)
Ti9—O22—Ti3x97.80 (12)O14—Ti9—Ti5v43.05 (7)
Ti9—O22—Ti5v92.39 (11)O12—Ti9—Ti5v93.54 (7)
Ti3x—O22—Ti5v166.84 (14)O22—Ti9—Ti5v45.36 (8)
Ti9—O22—Sr2vii134.64 (11)O16—Ti9—Ti5v95.01 (8)
Ti3x—O22—Sr2vii87.12 (9)O19—Ti9—Ti5v129.38 (8)
Ti5v—O22—Sr2vii91.65 (9)O9—Ti9—Ti5v137.22 (8)
Ti9—O22—Sr2xi131.09 (11)Fe5v—Ti9—Ti5v0.00 (2)
Ti3x—O22—Sr2xi83.71 (8)O14—Ti9—Fe6ii140.02 (8)
Ti5v—O22—Sr2xi83.32 (8)O12—Ti9—Fe6ii41.15 (7)
Sr2vii—O22—Sr2xi94.25 (7)O22—Ti9—Fe6ii92.79 (8)
O17—Li1—O16vii110.1 (4)O16—Ti9—Fe6ii134.64 (8)
O17—Li1—O21112.9 (4)O19—Ti9—Fe6ii41.47 (7)
O16vii—Li1—O21105.8 (3)O9—Ti9—Fe6ii86.27 (7)
O17—Li1—O20113.1 (3)Fe5v—Ti9—Fe6ii121.48 (3)
O16vii—Li1—O20110.2 (3)Ti5v—Ti9—Fe6ii121.48 (3)
O21—Li1—O20104.4 (3)O14—Ti9—Ti6ii140.02 (8)
O17—Li1—Ti1182.7 (2)O12—Ti9—Ti6ii41.15 (7)
O16vii—Li1—Ti11121.6 (3)O22—Ti9—Ti6ii92.79 (8)
O21—Li1—Ti1130.34 (13)O16—Ti9—Ti6ii134.64 (8)
O20—Li1—Ti11116.0 (3)O19—Ti9—Ti6ii41.47 (7)
O17—Li1—Sr2146.7 (3)O9—Ti9—Ti6ii86.27 (7)
O16vii—Li1—Sr2103.1 (3)Fe5v—Ti9—Ti6ii121.48 (3)
O21—Li1—Sr253.69 (17)Ti5v—Ti9—Ti6ii121.48 (3)
O20—Li1—Sr254.56 (17)Fe6ii—Ti9—Ti6ii0.000 (13)
Ti11—Li1—Sr278.17 (15)O20—Ti10—O12vi95.60 (11)
O17—Li1—Ti731.17 (14)O20—Ti10—O5vi85.99 (11)
O16vii—Li1—Ti7124.9 (3)O12vi—Ti10—O5vi93.51 (11)
O21—Li1—Ti7123.4 (3)O20—Ti10—O1595.47 (11)
O20—Li1—Ti781.9 (2)O12vi—Ti10—O15167.65 (11)
Ti11—Li1—Ti795.85 (19)O5vi—Ti10—O1592.72 (11)
Sr2—Li1—Ti7124.7 (2)O20—Ti10—O896.75 (11)
O17—Li1—Ti9vii125.5 (3)O12vi—Ti10—O892.72 (10)
O16vii—Li1—Ti9vii31.52 (14)O5vi—Ti10—O8172.92 (11)
O21—Li1—Ti9vii114.8 (3)O15—Ti10—O880.54 (10)
O20—Li1—Ti9vii78.7 (2)O20—Ti10—O13iii173.46 (11)
Ti11—Li1—Ti9vii142.2 (2)O12vi—Ti10—O13iii90.90 (10)
Sr2—Li1—Ti9vii84.92 (16)O5vi—Ti10—O13iii94.39 (10)
Ti7—Li1—Ti9vii121.4 (2)O15—Ti10—O13iii77.99 (10)
O17—Li1—Ti1084.9 (2)O8—Ti10—O13iii82.14 (9)
O16vii—Li1—Ti10123.7 (3)O20—Ti10—Fe3vi43.74 (8)
O21—Li1—Ti10117.6 (3)O12vi—Ti10—Fe3vi94.28 (8)
O20—Li1—Ti1028.21 (13)O5vi—Ti10—Fe3vi42.32 (8)
Ti11—Li1—Ti10113.8 (2)O15—Ti10—Fe3vi97.51 (8)
Sr2—Li1—Ti1078.38 (15)O8—Ti10—Fe3vi140.35 (7)
Ti7—Li1—Ti1053.69 (11)O13iii—Ti10—Fe3vi136.60 (7)
Ti9vii—Li1—Ti1095.20 (17)O20—Ti10—Ti3vi43.74 (8)
O17—Li1—Ti8vii80.7 (2)O12vi—Ti10—Ti3vi94.28 (8)
O16vii—Li1—Ti8vii29.85 (14)O5vi—Ti10—Ti3vi42.32 (8)
O21—Li1—Ti8vii124.1 (3)O15—Ti10—Ti3vi97.51 (8)
O20—Li1—Ti8vii119.9 (3)O8—Ti10—Ti3vi140.35 (7)
Ti11—Li1—Ti8vii123.9 (2)O13iii—Ti10—Ti3vi136.60 (7)
Sr2—Li1—Ti8vii132.6 (2)Fe3vi—Ti10—Ti3vi0.00 (4)
Ti7—Li1—Ti8vii96.57 (17)O20—Ti10—Ti793.55 (8)
Ti9vii—Li1—Ti8vii51.16 (11)O12vi—Ti10—Ti7132.83 (8)
Ti10—Li1—Ti8vii117.52 (19)O5vi—Ti10—Ti7133.30 (8)
O19—Li2—O4iii108.8 (3)O15—Ti10—Ti740.75 (7)
O19—Li2—O15vii108.4 (3)O8—Ti10—Ti740.21 (7)
O4iii—Li2—O15vii108.6 (3)O13iii—Ti10—Ti781.42 (6)
O19—Li2—O5iii116.3 (3)Fe3vi—Ti10—Ti7122.75 (3)
O4iii—Li2—O5iii104.0 (3)Ti3vi—Ti10—Ti7122.75 (3)
O15vii—Li2—O5iii110.4 (3)O21—Ti11—O1195.24 (11)
O19—Li2—Ti6ii32.38 (12)O21—Ti11—O10103.79 (11)
O4iii—Li2—Ti6ii120.2 (3)O11—Ti11—O1094.59 (10)
O15vii—Li2—Ti6ii123.9 (2)O21—Ti11—O1885.96 (11)
O5iii—Li2—Ti6ii83.96 (19)O11—Ti11—O1889.23 (11)
O19—Li2—Sr1iii145.9 (3)O10—Ti11—O18169.12 (11)
O4iii—Li2—Sr1iii54.51 (15)O21—Ti11—O1697.45 (11)
O15vii—Li2—Sr1iii105.4 (2)O11—Ti11—O16167.29 (11)
O5iii—Li2—Sr1iii53.64 (15)O10—Ti11—O1681.63 (10)
Ti6ii—Li2—Sr1iii124.41 (18)O18—Ti11—O1692.45 (11)
O19—Li2—Li2xii74.5 (2)O21—Ti11—O14164.54 (11)
O4iii—Li2—Li2xii176.5 (3)O11—Ti11—O1489.83 (10)
O15vii—Li2—Li2xii70.9 (2)O10—Ti11—O1490.31 (10)
O5iii—Li2—Li2xii73.2 (2)O18—Ti11—O1479.50 (10)
Ti6ii—Li2—Li2xii62.03 (17)O16—Ti11—O1478.10 (10)
Sr1iii—Li2—Li2xii122.1 (2)O21—Ti11—Fe2ix43.66 (8)
O19—Li2—Ti880.17 (19)O11—Ti11—Fe2ix90.99 (8)
O4iii—Li2—Ti828.85 (12)O10—Ti11—Fe2ix147.41 (8)
O15vii—Li2—Ti8123.1 (2)O18—Ti11—Fe2ix42.38 (7)
O5iii—Li2—Ti8115.0 (2)O16—Ti11—Fe2ix98.74 (8)
Ti6ii—Li2—Ti893.66 (15)O14—Ti11—Fe2ix121.85 (7)
Sr1iii—Li2—Ti877.61 (13)O21—Ti11—Ti2ix43.66 (8)
Li2xii—Li2—Ti8154.2 (3)O11—Ti11—Ti2ix90.99 (8)
O19—Li2—Ti10xiii87.4 (2)O10—Ti11—Ti2ix147.41 (8)
O4iii—Li2—Ti10xiii117.1 (3)O18—Ti11—Ti2ix42.38 (7)
O15vii—Li2—Ti10xiii123.3 (2)O16—Ti11—Ti2ix98.74 (8)
O5iii—Li2—Ti10xiii28.97 (11)O14—Ti11—Ti2ix121.85 (7)
Ti6ii—Li2—Ti10xiii55.00 (9)Fe2ix—Ti11—Ti2ix0.00 (3)
Sr1iii—Li2—Ti10xiii78.08 (12)O21—Ti11—Ti9135.39 (9)
Li2xii—Li2—Ti10xiii61.45 (17)O11—Ti11—Ti9127.95 (8)
Ti8—Li2—Ti10xiii113.05 (18)O10—Ti11—Ti985.35 (7)
O19—Li2—Ti6viii124.0 (3)O18—Ti11—Ti984.28 (8)
O4iii—Li2—Ti6viii119.0 (2)O16—Ti11—Ti939.91 (7)
O15vii—Li2—Ti6viii30.80 (12)O14—Ti11—Ti938.19 (7)
O5iii—Li2—Ti6viii79.65 (19)Fe2ix—Ti11—Ti9115.83 (3)
Ti6ii—Li2—Ti6viii120.80 (17)Ti2ix—Ti11—Ti9115.83 (3)
Sr1iii—Li2—Ti6viii88.27 (13)O21—Sr2—O2073.53 (8)
Li2xii—Li2—Ti6viii58.77 (18)O21—Sr2—O8v93.53 (7)
Ti8—Li2—Ti6viii144.49 (18)O20—Sr2—O8v129.53 (8)
Ti10xiii—Li2—Ti6viii95.19 (14)O21—Sr2—O1ix115.92 (7)
O3iv—Ti1—O395.78 (18)O20—Sr2—O1ix117.46 (8)
O3iv—Ti1—O4iv94.16 (11)O8v—Sr2—O1ix112.10 (8)
O3—Ti1—O4iv92.36 (11)O21—Sr2—O13130.51 (7)
O3iv—Ti1—O492.36 (11)O20—Sr2—O1388.98 (7)
O3—Ti1—O494.16 (11)O8v—Sr2—O1362.60 (7)
O4iv—Ti1—O4170.26 (16)O1ix—Sr2—O13113.26 (7)
O3iv—Ti1—O17xiv86.78 (12)O21—Sr2—O767.74 (7)
O3—Ti1—O17xiv173.56 (10)O20—Sr2—O765.83 (7)
O4iv—Ti1—O17xiv81.54 (11)O8v—Sr2—O764.16 (8)
O4—Ti1—O17xiv91.63 (11)O1ix—Sr2—O7175.36 (7)
O3iv—Ti1—O17v173.56 (10)O13—Sr2—O762.87 (7)
O3—Ti1—O17v86.78 (12)O21—Sr2—O2v62.05 (8)
O4iv—Ti1—O17v91.63 (11)O20—Sr2—O2v135.15 (8)
O4—Ti1—O17v81.54 (11)O8v—Sr2—O2v62.45 (7)
O17xiv—Ti1—O17v91.29 (15)O1ix—Sr2—O2v79.29 (8)
O3iv—Ti1—Fe8xiv89.51 (9)O13—Sr2—O2v124.17 (7)
O3—Ti1—Fe8xiv131.05 (8)O7—Sr2—O2v100.67 (7)
O4iv—Ti1—Fe8xiv38.69 (8)O21—Sr2—O22vii92.95 (7)
O4—Ti1—Fe8xiv134.31 (8)O20—Sr2—O22vii59.79 (7)
O17xiv—Ti1—Fe8xiv42.89 (7)O8v—Sr2—O22vii170.04 (7)
O17v—Ti1—Fe8xiv93.26 (8)O1ix—Sr2—O22vii58.13 (8)
O3iv—Ti1—Ti8xiv89.51 (9)O13—Sr2—O22vii117.82 (7)
O3—Ti1—Ti8xiv131.05 (8)O7—Sr2—O22vii125.48 (7)
O4iv—Ti1—Ti8xiv38.69 (8)O2v—Sr2—O22vii114.51 (7)
O4—Ti1—Ti8xiv134.31 (8)O21—Sr2—O18vii58.16 (7)
O17xiv—Ti1—Ti8xiv42.89 (7)O20—Sr2—O18vii95.67 (7)
O17v—Ti1—Ti8xiv93.26 (8)O8v—Sr2—O18vii118.76 (7)
Fe8xiv—Ti1—Ti8xiv0.00 (3)O1ix—Sr2—O18vii57.98 (7)
O3iv—Ti1—Fe8v131.05 (8)O13—Sr2—O18vii171.23 (7)
O3—Ti1—Fe8v89.51 (9)O7—Sr2—O18vii125.86 (7)
O4iv—Ti1—Fe8v134.31 (8)O2v—Sr2—O18vii56.31 (7)
O4—Ti1—Fe8v38.69 (8)O22vii—Sr2—O18vii59.15 (7)
O17xiv—Ti1—Fe8v93.26 (8)O21—Sr2—O1vi132.94 (7)
O17v—Ti1—Fe8v42.89 (7)O20—Sr2—O1vi60.44 (7)
Fe8xiv—Ti1—Fe8v122.19 (5)O8v—Sr2—O1vi122.47 (7)
Ti8xiv—Ti1—Fe8v122.19 (5)O1ix—Sr2—O1vi80.04 (8)
O3iv—Ti1—Ti8v131.05 (8)O13—Sr2—O1vi61.23 (7)
O3—Ti1—Ti8v89.51 (9)O7—Sr2—O1vi99.56 (7)
O4iv—Ti1—Ti8v134.31 (8)O2v—Sr2—O1vi158.82 (8)
O4—Ti1—Ti8v38.69 (8)O22vii—Sr2—O1vi56.61 (7)
O17xiv—Ti1—Ti8v93.26 (8)O18vii—Sr2—O1vi114.88 (7)
O17v—Ti1—Ti8v42.89 (7)O21—Sr2—O6v116.82 (7)
Fe8xiv—Ti1—Ti8v122.19 (5)O20—Sr2—O6v168.90 (7)
Ti8xiv—Ti1—Ti8v122.19 (5)O8v—Sr2—O6v56.56 (7)
Fe8v—Ti1—Ti8v0.00 (3)O1ix—Sr2—O6v55.54 (7)
O2—Ti2—O2iv92.06 (16)O13—Sr2—O6v86.76 (7)
O2—Ti2—O18iii99.00 (11)O7—Sr2—O6v120.65 (7)
O2iv—Ti2—O18iii90.88 (11)O2v—Sr2—O6v54.80 (7)
O2—Ti2—O18i90.88 (11)O22vii—Sr2—O6v113.63 (7)
O2iv—Ti2—O18i99.00 (11)O18vii—Sr2—O6v87.32 (7)
O18iii—Ti2—O18i165.80 (16)O1vi—Sr2—O6v108.62 (7)
O2—Ti2—O21i172.16 (10)O21—Sr2—O22xvi171.57 (7)
O2iv—Ti2—O21i91.11 (11)O20—Sr2—O22xvi112.65 (7)
O18iii—Ti2—O21i88.12 (10)O8v—Sr2—O22xvi86.74 (7)
O18i—Ti2—O21i81.55 (10)O1ix—Sr2—O22xvi56.51 (7)
O2—Ti2—O21iii91.11 (11)O13—Sr2—O22xvi56.77 (7)
O2iv—Ti2—O21iii172.16 (10)O7—Sr2—O22xvi119.62 (7)
O18iii—Ti2—O21iii81.55 (10)O2v—Sr2—O22xvi110.98 (7)
O18i—Ti2—O21iii88.12 (10)O22vii—Sr2—O22xvi85.75 (7)
O21i—Ti2—O21iii86.66 (15)O18vii—Sr2—O22xvi114.48 (7)
O2—Ti2—Fe11iii94.54 (8)O1vi—Sr2—O22xvi52.36 (7)
O2iv—Ti2—Fe11iii134.19 (8)O6v—Sr2—O22xvi56.63 (7)
O18iii—Ti2—Fe11iii43.32 (8)O21—Sr2—Li137.40 (13)
O18i—Ti2—Fe11iii126.11 (8)O20—Sr2—Li138.36 (13)
O21i—Ti2—Fe11iii88.37 (8)O8v—Sr2—Li1123.73 (13)
O21iii—Ti2—Fe11iii38.30 (7)O1ix—Sr2—Li1114.25 (14)
O2—Ti2—Ti11iii94.54 (8)O13—Sr2—Li1121.20 (13)
O2iv—Ti2—Ti11iii134.19 (8)O7—Sr2—Li170.38 (14)
O18iii—Ti2—Ti11iii43.32 (8)O2v—Sr2—Li197.04 (13)
O18i—Ti2—Ti11iii126.11 (8)O22vii—Sr2—Li165.32 (14)
O21i—Ti2—Ti11iii88.37 (8)O18vii—Sr2—Li166.02 (13)
O21iii—Ti2—Ti11iii38.30 (7)O1vi—Sr2—Li195.61 (13)
Fe11iii—Ti2—Ti11iii0.00 (3)O6v—Sr2—Li1149.95 (13)
O2—Ti2—Fe11i134.19 (8)O22xvi—Sr2—Li1146.38 (13)
O2iv—Ti2—Fe11i94.54 (8)O21—Sr2—Ti3vi101.09 (6)
O18iii—Ti2—Fe11i126.11 (8)O20—Sr2—Ti3vi35.05 (6)
O18i—Ti2—Fe11i43.32 (8)O8v—Sr2—Ti3vi148.72 (5)
O21i—Ti2—Fe11i38.30 (7)O1ix—Sr2—Ti3vi86.16 (6)
O21iii—Ti2—Fe11i88.37 (8)O13—Sr2—Ti3vi87.18 (5)
Fe11iii—Ti2—Fe11i112.02 (5)O7—Sr2—Ti3vi96.01 (5)
Ti11iii—Ti2—Fe11i112.02 (5)O2v—Sr2—Ti3vi148.55 (5)
O2—Ti2—Ti11i134.19 (8)O22vii—Sr2—Ti3vi35.99 (5)
O2iv—Ti2—Ti11i94.54 (8)O18vii—Sr2—Ti3vi92.35 (5)
O18iii—Ti2—Ti11i126.11 (8)O1vi—Sr2—Ti3vi32.98 (5)
O18i—Ti2—Ti11i43.32 (8)O6v—Sr2—Ti3vi134.34 (5)
O21i—Ti2—Ti11i38.30 (7)O22xvi—Sr2—Ti3vi82.73 (5)
O21iii—Ti2—Ti11i88.37 (8)Li1—Sr2—Ti3vi63.86 (12)
Fe11iii—Ti2—Ti11i112.02 (5)O21—Sr2—Ti2ix35.71 (6)
Ti11iii—Ti2—Ti11i112.02 (5)O20—Sr2—Ti2ix103.09 (6)
Fe11i—Ti2—Ti11i0.00 (3)O8v—Sr2—Ti2ix89.96 (5)
O1—Ti3—O596.42 (12)O1ix—Sr2—Ti2ix84.73 (6)
O1—Ti3—O6iv92.40 (11)O13—Sr2—Ti2ix150.96 (5)
O5—Ti3—O6iv91.70 (11)O7—Sr2—Ti2ix97.82 (5)
O1—Ti3—O20ii97.04 (11)O2v—Sr2—Ti2ix33.70 (5)
O5—Ti3—O20ii81.75 (11)O22vii—Sr2—Ti2ix90.88 (5)
O6iv—Ti3—O20ii169.04 (12)O18vii—Sr2—Ti2ix34.44 (5)
O1—Ti3—O22xv92.14 (11)O1vi—Sr2—Ti2ix147.39 (5)
O5—Ti3—O22xv167.17 (11)O6v—Sr2—Ti2ix85.40 (5)
O6iv—Ti3—O22xv97.49 (11)O22xvi—Sr2—Ti2ix135.91 (5)
O20ii—Ti3—O22xv87.74 (10)Li1—Sr2—Ti2ix64.84 (12)
O1—Ti3—O19xv171.29 (11)Ti3vi—Sr2—Ti2ix117.79 (2)
O5—Ti3—O19xv90.71 (11)O5—Sr1—O471.18 (8)
O6iv—Ti3—O19xv82.36 (11)O5—Sr1—O990.71 (7)
O20ii—Ti3—O19xv88.90 (10)O4—Sr1—O9129.86 (8)
O22xv—Ti3—O19xv81.71 (11)O5—Sr1—O10131.65 (7)
O1—Ti3—Fe10ii97.13 (9)O4—Sr1—O1094.50 (7)
O5—Ti3—Fe10ii41.51 (7)O9—Sr1—O1063.01 (7)
O6iv—Ti3—Fe10ii132.91 (9)O5—Sr1—O1468.14 (7)
O20ii—Ti3—Fe10ii40.31 (7)O4—Sr1—O1465.71 (8)
O22xv—Ti3—Fe10ii127.90 (8)O9—Sr1—O1464.15 (7)
O19xv—Ti3—Fe10ii91.52 (8)O10—Sr1—O1463.97 (7)
O1—Ti3—Ti10ii97.13 (9)O5—Sr1—O2iv113.94 (7)
O5—Ti3—Ti10ii41.51 (7)O4—Sr1—O2iv117.25 (8)
O6iv—Ti3—Ti10ii132.91 (9)O9—Sr1—O2iv112.85 (8)
O20ii—Ti3—Ti10ii40.31 (7)O10—Sr1—O2iv113.60 (7)
O22xv—Ti3—Ti10ii127.90 (8)O14—Sr1—O2iv176.65 (7)
O19xv—Ti3—Ti10ii91.52 (8)O5—Sr1—O3iv93.99 (8)
Fe10ii—Ti3—Ti10ii0.00 (3)O4—Sr1—O3iv60.29 (8)
O1—Ti3—Fe9xv131.90 (9)O9—Sr1—O3iv169.84 (8)
O5—Ti3—Fe9xv131.64 (8)O10—Sr1—O3iv119.11 (8)
O6iv—Ti3—Fe9xv88.54 (8)O14—Sr1—O3iv126.00 (8)
O20ii—Ti3—Fe9xv89.28 (8)O2iv—Sr1—O3iv56.99 (8)
O22xv—Ti3—Fe9xv40.31 (8)O5—Sr1—O161.36 (7)
O19xv—Ti3—Fe9xv41.44 (7)O4—Sr1—O1131.40 (7)
Fe10ii—Ti3—Fe9xv116.65 (3)O9—Sr1—O163.11 (7)
Ti10ii—Ti3—Fe9xv116.65 (3)O10—Sr1—O1124.28 (7)
O1—Ti3—Ti9xv131.90 (9)O14—Sr1—O1103.36 (7)
O5—Ti3—Ti9xv131.64 (8)O2iv—Sr1—O175.95 (7)
O6iv—Ti3—Ti9xv88.54 (8)O3iv—Sr1—O1111.58 (7)
O20ii—Ti3—Ti9xv89.28 (8)O5—Sr1—O3131.91 (8)
O22xv—Ti3—Ti9xv40.31 (8)O4—Sr1—O360.98 (7)
O19xv—Ti3—Ti9xv41.44 (7)O9—Sr1—O3123.14 (7)
Fe10ii—Ti3—Ti9xv116.65 (3)O10—Sr1—O360.40 (7)
Ti10ii—Ti3—Ti9xv116.65 (3)O14—Sr1—O395.07 (7)
Fe9xv—Ti3—Ti9xv0.00 (3)O2iv—Sr1—O385.38 (8)
O2—Ti4—O1099.99 (11)O3iv—Sr1—O358.95 (10)
O2—Ti4—O897.24 (11)O1—Sr1—O3161.01 (8)
O10—Ti4—O896.26 (10)O5—Sr1—O6iv58.54 (7)
O2—Ti4—O7165.64 (11)O4—Sr1—O6iv91.35 (8)
O10—Ti4—O791.25 (10)O9—Sr1—O6iv118.88 (7)
O8—Ti4—O790.32 (11)O10—Sr1—O6iv169.58 (7)
O2—Ti4—O388.21 (12)O14—Sr1—O6iv126.42 (7)
O10—Ti4—O389.56 (10)O2iv—Sr1—O6iv55.98 (7)
O8—Ti4—O3171.20 (11)O3iv—Sr1—O6iv57.06 (8)
O7—Ti4—O382.94 (11)O1—Sr1—O6iv55.85 (7)
O2—Ti4—O688.56 (11)O3—Sr1—O6iv115.77 (7)
O10—Ti4—O6169.95 (10)O5—Sr1—O18iii116.87 (7)
O8—Ti4—O687.82 (11)O4—Sr1—O18iii170.04 (7)
O7—Ti4—O679.52 (10)O9—Sr1—O18iii58.07 (7)
O3—Ti4—O685.40 (11)O10—Sr1—O18iii84.24 (7)
O2—Ti4—Ti6129.90 (8)O14—Sr1—O18iii121.85 (7)
O10—Ti4—Ti6129.61 (7)O2iv—Sr1—O18iii55.01 (7)
O8—Ti4—Ti685.33 (7)O3iv—Sr1—O18iii111.79 (7)
O7—Ti4—Ti638.38 (7)O1—Sr1—O18iii55.67 (7)
O3—Ti4—Ti685.88 (8)O3—Sr1—O18iii110.28 (7)
O6—Ti4—Ti641.40 (8)O6iv—Sr1—O18iii88.51 (7)
O2—Ti4—Fe7v132.59 (9)O5—Sr1—O2168.29 (7)
O10—Ti4—Fe7v86.47 (7)O4—Sr1—O2114.52 (7)
O8—Ti4—Fe7v128.96 (8)O9—Sr1—O292.64 (7)
O7—Ti4—Fe7v38.65 (7)O10—Sr1—O259.45 (7)
O3—Ti4—Fe7v44.63 (8)O14—Sr1—O2123.30 (7)
O6—Ti4—Fe7v83.83 (8)O2iv—Sr1—O254.51 (9)
Ti6—Ti4—Fe7v56.48 (2)O3iv—Sr1—O281.03 (7)
O2—Ti4—Ti7v132.59 (9)O1—Sr1—O2110.52 (7)
O10—Ti4—Ti7v86.47 (7)O3—Sr1—O253.84 (7)
O8—Ti4—Ti7v128.96 (8)O6iv—Sr1—O2110.22 (7)
O7—Ti4—Ti7v38.65 (7)O18iii—Sr1—O256.46 (7)
O3—Ti4—Ti7v44.63 (8)O5—Sr1—Li2v36.99 (11)
O6—Ti4—Ti7v83.83 (8)O4—Sr1—Li2v36.44 (11)
Ti6—Ti4—Ti7v56.48 (2)O9—Sr1—Li2v121.54 (11)
Fe7v—Ti4—Ti7v0.00 (2)O10—Sr1—Li2v124.84 (11)
O1—Ti5—O13ii99.71 (11)O14—Sr1—Li2v70.87 (12)
O1—Ti5—O997.66 (11)O2iv—Sr1—Li2v112.41 (12)
O13ii—Ti5—O995.14 (10)O3iv—Sr1—Li2v66.36 (12)
O1—Ti5—O14iii162.76 (11)O1—Sr1—Li2v95.01 (11)
O13ii—Ti5—O14iii93.16 (10)O3—Sr1—Li2v95.34 (11)
O9—Ti5—O14iii92.51 (10)O6iv—Sr1—Li2v63.95 (11)
O1—Ti5—O22iii86.46 (11)O18iii—Sr1—Li2v148.92 (11)
O13ii—Ti5—O22iii89.01 (10)O2—Sr1—Li2v144.42 (11)
O9—Ti5—O22iii173.56 (10)O5—Sr1—Ti199.95 (6)
O14iii—Ti5—O22iii82.32 (10)O4—Sr1—Ti136.03 (5)
O1—Ti5—O18iii87.73 (10)O9—Sr1—Ti1152.27 (5)
O13ii—Ti5—O18iii171.78 (10)O10—Sr1—Ti191.39 (5)
O9—Ti5—O18iii87.25 (10)O14—Sr1—Ti196.10 (5)
O14iii—Ti5—O18iii78.86 (10)O2iv—Sr1—Ti186.18 (6)
O22iii—Ti5—O18iii87.97 (10)O3iv—Sr1—Ti134.97 (5)
O1—Ti5—Fe9iii128.37 (8)O1—Sr1—Ti1144.04 (5)
O13ii—Ti5—Fe9iii87.24 (7)O3—Sr1—Ti134.93 (5)
O9—Ti5—Fe9iii132.89 (8)O6iv—Sr1—Ti188.27 (5)
O14iii—Ti5—Fe9iii40.43 (7)O18iii—Sr1—Ti1134.03 (5)
O22iii—Ti5—Fe9iii42.25 (7)O2—Sr1—Ti182.08 (5)
O18iii—Ti5—Fe9iii85.39 (7)Li2v—Sr1—Ti163.15 (9)
O1—Ti5—Ti9iii128.37 (8)O5—Sr1—Ti334.79 (6)
O13ii—Ti5—Ti9iii87.24 (7)O4—Sr1—Ti398.59 (5)
O9—Ti5—Ti9iii132.89 (8)O9—Sr1—Ti389.22 (5)
O14iii—Ti5—Ti9iii40.43 (7)O10—Sr1—Ti3151.30 (5)
O22iii—Ti5—Ti9iii42.25 (7)O14—Sr1—Ti398.60 (5)
O18iii—Ti5—Ti9iii85.39 (7)O2iv—Sr1—Ti382.66 (5)
Fe9iii—Ti5—Ti9iii0.00 (2)O3iv—Sr1—Ti389.51 (6)
O1—Ti5—Ti11iii125.79 (8)O1—Sr1—Ti333.77 (5)
O13ii—Ti5—Ti11iii133.78 (8)O3—Sr1—Ti3147.60 (6)
O9—Ti5—Ti11iii87.12 (7)O6iv—Sr1—Ti334.85 (5)
O14iii—Ti5—Ti11iii40.66 (7)O18iii—Sr1—Ti386.95 (5)
O22iii—Ti5—Ti11iii86.45 (7)O2—Sr1—Ti3134.00 (5)
O18iii—Ti5—Ti11iii38.35 (7)Li2v—Sr1—Ti362.31 (10)
Fe9iii—Ti5—Ti11iii59.77 (2)Ti1—Sr1—Ti3114.00 (2)
Symmetry codes: (i) x1/2, y+1/2, z+1/2; (ii) x+1/2, y+1/2, z+1/2; (iii) x+1/2, y+1/2, z; (iv) x, y, z+1/2; (v) x+1/2, y1/2, z; (vi) x+1/2, y+1/2, z1/2; (vii) x+1, y, z+1/2; (viii) x+1/2, y+1/2, z+1/2; (ix) x+1/2, y1/2, z+1/2; (x) x+1/2, y+1/2, z+1; (xi) x, y, z+1/2; (xii) x+1, y+1, z+1; (xiii) x, y+1, z+1/2; (xiv) x1/2, y1/2, z+1/2; (xv) x1/2, y+1/2, z+1; (xvi) x, y, z1/2.

Experimental details

(cr312)(cr4d)(srfei)
Crystal data
Chemical formulaCrLiO11SrTi4CrLiO11SrTi4FeLiO11SrTi4
Mr514.16514.16518.01
Crystal system, space groupOrthorhombic, PnmaOrthorhombic, PnmaOthorhombic, Pbcn
Temperature (K)293293293
a, b, c (Å)13.818 (1), 5.755 (1), 9.901 (1)13.798 (2), 5.763 (1), 9.890 (2)13.875 (6), 11.492 (3), 19.887 (3)
α, β, γ (°)90, 90, 9090, 90, 9090, 90, 90
V3)787.35 (17)786.4 (2)3171.1 (17)
Z4416
Radiation typeMo KαMo KαMo Kα
µ (mm1)11.7311.7512.14
Crystal size (mm)0.09 × 0.08 × 0.070.05 × 0.04 × 0.010.08 × 0.06 × 0.06
Data collection
DiffractometerFour-circle
diffractometer
Four circle
diffractometer
Four-circle
diffractometer
Absorption correctionMulti-scanMulti-scanMulti-scan
Tmin, Tmax0.35, 0.440.55, 0.890.38, 0.48
No. of measured, independent and
observed [I > 2σ(I)] reflections
10321, 1493, 1393 6546, 1243, 957 51725, 6973, 4841
Rint0.0250.0470.050
(sin θ/λ)max1)0.7460.7040.807
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.023, 0.056, 1.20 0.04, 0.073, 1.18 0.053, 0.085, 1.21
No. of reflections149312436973
No. of parameters9898327
w = 1/[σ2(Fo2) + (0.0153P)2 + 2.5599P]
where P = (Fo2 + 2Fc2)/3
w = 1/[σ2(Fo2) + (0.P)2 + 8.8912P]
where P = (Fo2 + 2Fc2)/3
w = 1/[σ2(Fo2) + (0.0282P)2 + 14.933P]
where P = (Fo2 + 2Fc2)/3
Δρmax, Δρmin (e Å3)0.63, 0.630.76, 0.741.54, 1.37

Computer programs: Collect, Nonius B.V., 1999), DENZO-SCALEPACK(Otwinowski,Minor,1997), DENZO-SCALEPACK(Otwinovski,Minor,1997), SHELXS97 (Sheldrick, 1997a), SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997b), SHELXL97 (Sheldrick, 1997).

 

Subscribe to Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

The full text of this article is available to subscribers to the journal.

If you have already registered and are using a computer listed in your registration details, please email support@iucr.org for assistance.

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.
E-mail address* 
Repeat e-mail address* 
(for error checking) 

Format*   PDF (US $40)
   HTML (US $40)
   PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number 
(non-UK EC countries only) 
Country* 
 

Terms and conditions of use
Contact us

Follow Acta Cryst. B
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds