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A new oxyfluoro­tellurate(IV), indium fluorido­penta­oxido­tellurate(IV), InTe2O5F, has been synthesized by solid-state reaction and structurally characterized. The crystal structure consists of a three-dimensional framework formed by InO4F2 octa­hedra and Te2O5 units. The InO4F2 octa­hedra are linked through the F atoms, which lie on twofold axes, giving rise to helical chains. These helical chains are connected via the Te2O5 units. The helical chains of indium octahedra surround cavities, into which the lone pairs of electrons of the Te atoms point.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S010827011300913X/fn3131sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S010827011300913X/fn3131Isup2.hkl
Contains datablock I

Comment top

Tellurates(IV) and selenates(IV) attract significant attention, due to their ability to adopt a variety of structures in which the electronic lone pair of the TeIV and SeIV cations may act as a structure-guiding agent (Berdonosov et al., 2009). Recently, the crystal structures of several oxyfluorotellurates(IV), showing a large structural diversity [MTeO3F (M = FeIII, GaIII and CrIII; Laval et al., 2008), ScTeO3F and InTeO3F (Jennene Boukharrata et al., 2008), In3TeO3F7 (Jennene Boukharrata et al., 2011), and V2Te2O7F2 and TiTeO3F2 (Laval et al., 2009)] have been described. The common characteristic of these structures is the presence of TeO3E pyramids where E represents the lone pair.

The present work is a continuation of our systematic investigation of tellurium(IV) fluorides and oxyfluorides. This investigation broadens our knowledge in the synthesis of new phases of potential interest for their nonlinear optical properties and the characterization of new structure types, in order to determine the influence of the electronic lone pair of the TeIV cation on their structural framework. In particular, we focus our interest on fluoride and oxyfluoride compounds, which are very sensitive to the stereochemical activity of this electronic lone pair E. For oxyfluorides, the O/F anionic short- or long-range ordering has an important influence on the air stability of the compounds. In the In—Te—O—F system, two new structure types have previously been described, viz. InTeO3F (Jennene Boukharrata et al., 2008) and In3TeO3F7 (Jennene Boukharrata et al., 2011). In the present work, we report the synthesis and crystal structure determination of a new oxyfluorotellurate(IV), richer in tellurium, namely InTe2O5F.

The In atom is six-coordinated. It is shifted from the centre of a slightly distorted octahedron [To what extent?]. The equatorial apices of this octahedron are occupied by four O atoms (O1, O2, O3 and O4 [O1, O2i, O3ii and O5 in Table 1 - please clarify]) and the axial postions are occupied by the two F atoms (F1 and F2). Details of the In—O and In—F bond lengths are given in Table 1.

The Te atoms in the title structure occupy two different sites. Atom Te1 is strongly bonded to three O atoms (O3iv, O4 and O5iv; details in Table 1) and atom Te2 also has three strong bonds to three O atoms (O1, O2 and O4; details in Table 1). The anionic polyhedra of the Te atoms are described as trigonal pyramids in both cases, with the stereochemically active electron lone pair E pointing in the direction of the fourth corner (Fig. 1).

If the medium or long Te—O distances are now considered, they lead to modifications of the anionic environments of Te1 and Te2. Indeed, one supplementary Te—O bond can be added to the anionic environment of Te1 [Te1—O1iii = 2.369 (3) Å; symmetry code: (iii) x - 1/2, y - 1/2, z], whereas three long Te—O bonds can be added to Te2 [Te2—O3vi = 2.694 (3) Å, Te2–O2v = 2.710 (3) Å and Te2–O4vi = 3.074 (3) Å; symmetry codes: (v) -x, y, -z + 3/2; (vi) x, -y + 1, -z + 1]. Thus, the Te1O4E polyhedron can be considered as a trigonal bipyramid, in which the third apex of the base is occupied by the lone pair E. This anionic environment can also be described as a disphenoid. The Te2O6E polyhedron can be described as a distorted octahedron. The lone pair E points through the large triangular face of the octahedron (Fig. 1).

Atom O4 is shared by Te1 and Te2, forming a strong bihedral [Te2O5]2- unit (Fig. 1). However, considering the intermediate Te—O distances [Te—O1 = 2.369 (3) Å], the [Te2O5]2- units are not isolated, but are transformed into [Te2O5] chains parallel to the (001) plane and oriented along the [110] and [110] directions (Fig. 2). In these chains, the Te atoms have two different coordinations, viz. (3+1) for Te1 and (3) for Te2. This type of chain is also encountered in other compounds, such as CuTe2O5 (Hanke et al., 1973) and Ga2Te4O11 (Dutreilh et al., 2001).

Bond-valence calculations (Brown, 1981) show that the O-atom valences range from 1.99 to 2.30 valence units (v.u.), and that the F-atom valences are 0.85 and 0.75 v.u. (Table 2). The calculated valences of the In, Te1 and Te2 atoms are very close to their theoretical values, which is consistent with full O/F ordering in the InTe2O5F phase.

As mentioned above, in the InTe2O5F structure the In? atoms are shifted slightly from the centre of the distorted InO4F2 octahedra [To what extent?]. These octahedra share atoms F1 and F2 to give InnO4nFn helical chains along the [001] direction (Fig. 3). This kind of chain is found in other compounds containing indium, like NH4In(OH)PO4 (Mao et al., 2002) and KIn(OH)PO4 (Hriljac et al., 1996), and also in γ-NaTiOPO4 (Nagornyi et al., 1989). Similar helical chains are also seen in BaMo2Te2O11(H2O) (Hou et al., 2006), where the Mo atom corresponds to a hexavalent cation (Mo6+). Atoms Te1 and Te2 link the indium chains to give a three-dimensional framework. Indeed, in Fig. 3 it can be observed that the Te1 atoms share two O atoms (O5 and O3) with two In atoms belonging to two different helical chains. The third O atom (O4) is shared with atom Te2. This last atom shares two O atoms (O1 and O2) with two In atoms belonging to the same helical chain. Therefore, each [Te2O5]2- unit links three different helical chains, two of which belong to the same (010) plane while the third is shifted by (x + 1/2, y + 1/2, z component?).

A projection onto the (001) plane (Fig. 4) illustrates the cavities delimited by the helical shape of the indium chains and towards which point the E lone pairs of the Te atoms.

In this oxyfluorotellurate(IV), as in many Ga, Fe, Cr, V, Ti, In etc. oxyfluorotellurates already described, the bonding of the F atoms only to In ensures good thermal stability and nonhygroscopic character due to the absence of unstable Te—F bonds.

The In–TeIV–O–F system is the richest of the crystalline phases. InTeO3F (Jennene Boukharrata et al., 2008), derived from the α-PbO2 type, and In3TeO3F7 (Jennene Boukharrata et al., 2011) can be considered as an intergrowth of MIn3F10 and HTB (hexagonal tungsten bronze) types. InTe2O5F is structurally closer to classical tellurate(IV) structures but seems original due to the presence of helical chains of InO4F2 octahedra sharing F atoms connected through [Te2O5]2- bipolyhedra, forming a three-dimensional framework. An investigation of the potential nonlinear optical properties of this noncentrosymmetric phase is planned.

The entries in Table 1 have been placed in a more logical order. This has ramifications for symmetry-code numbering. Please check very carefully throughout, particularly in the labelling and caption of Fig. 1.

Related literature top

For related literature, see: Berdonosov et al. (2009); Brown (1981); Dutreilh et al. (2001); Hanke et al. (1973); Hou et al. (2006); Hriljac et al. (1996); Jennene & Laval (2011); Jennene Boukharrata, Laval & Thomas (2008); Laval & Jennene Boukharrata (2009); Laval et al. (2008); Mao et al. (2002); Nagornyi et al. (1989).

Experimental top

InTe2O5F was prepared by solid-state reaction. InF3 was obtained from Aldrich (99.9%) and TeO2 was prepared by decomposition of commercial orthotelluric acid (H6TeO6; Aldrich, 99.9%). A mixture of InF3 and TeO2 (1:5/2 molar ratio [OK?]) was ground in an agate mortar and quickly loaded into a platinum tube. The tube was sealed and heated as follows: the temperature was increased from 298 to 673 K (at a rate of 5 K min-1), held for 48 h at that temperature and then decreased (at a rate of 0.1 K min-1) to 573 K in landings of 20 K. Each landing lasted for 48 h. Colourless tablet-shaped single crystals of InTe2O5F, which were air-stable and suitable for study by X-ray diffraction, were obtained.

Computing details top

Data collection: COLLECT (Nonius, 2004); cell refinement: DIRAX/LSQ (Duisenberg et al., 2003); data reduction: EVALCCD (Duisenberg et al., 2003); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008) and WinGX (Farrugia, 2012); molecular graphics: DIAMOND (Brandenburg, 1999); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. The [Te2O5]2- unit of the title compound. The arrows represent the electronic lone pairs E of atoms Te1 and Te2. Short Te—O bonds are represented by continuous lines, and medium and long Te—O bonds by dashed lines. [Symmetry codes: (iii) x - 1/2, y - 1/2, z; (iv) x - 1/2, -y + 1/2, -z + 1; (v) -x, y, -z + 3/2; (vi) x, -y + 1, -z + 1.] [Please check added text]
[Figure 2] Fig. 2. The [Te2O5] chains of the title compound. Dashed lines indicate medium and long Te—O bonds?
[Figure 3] Fig. 3. The connection of helical InnO4nFn chains via [Te2O5]2- units. Key: large dark balls (dark blue in the electronic version of the paper) are Te1 atoms, large light balls (light blue) are Te2 atoms and InO4F2 octahedra are dark and light grey.
[Figure 4] Fig. 4. A projection of the InTe2O5F structure onto the (001) plane, showing the cavities towards which the lone pairs E of the Te atoms point. Te1 atoms are shown as large dark balls (dark blue in the electronic version of the paper), Te2 atoms are large light balls (light blue) and InO4F2 octahedra are dark grey.
Indium pentaoxidofluoridotellurate(IV) top
Crystal data top
InTe2O5FZ = 8
Mr = 469.02F(000) = 1616
Orthorhombic, C2221Dx = 6.050 Mg m3
Hall symbol: C 2c 2Mo Kα radiation, λ = 0.71073 Å
a = 6.964 (2) ŵ = 15.66 mm1
b = 11.300 (3) ÅT = 293 K
c = 13.088 (4) ÅTablet, colourless
V = 1029.9 (5) Å30.02 × 0.02 × 0.01 mm
Data collection top
Nonius KappaCCD raea-detector
diffractometer
1176 independent reflections
Radiation source: fine-focus sealed tube1113 reflections with I > 2σ(I)
Horizontally mounted graphite crystal monochromatorRint = 0.044
Detector resolution: 9 pixels mm-1θmax = 27.5°, θmin = 5.8°
CCD scansh = 89
Absorption correction: multi-scan
(SADABS; Bruker, 2001)
k = 1414
Tmin = 0.754, Tmax = 0.829l = 1616
15068 measured reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: full w = 1/[σ2(Fo2) + (0.0082P)2 + 1.3622P]
where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.015(Δ/σ)max = 0.001
wR(F2) = 0.024Δρmax = 0.69 e Å3
S = 1.13Δρmin = 0.72 e Å3
1176 reflectionsExtinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
84 parametersExtinction coefficient: 0.000384 (18)
0 restraintsAbsolute structure: Flack (1983), 489 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.01 (3)
Crystal data top
InTe2O5FV = 1029.9 (5) Å3
Mr = 469.02Z = 8
Orthorhombic, C2221Mo Kα radiation
a = 6.964 (2) ŵ = 15.66 mm1
b = 11.300 (3) ÅT = 293 K
c = 13.088 (4) Å0.02 × 0.02 × 0.01 mm
Data collection top
Nonius KappaCCD raea-detector
diffractometer
1176 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2001)
1113 reflections with I > 2σ(I)
Tmin = 0.754, Tmax = 0.829Rint = 0.044
15068 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0150 restraints
wR(F2) = 0.024Δρmax = 0.69 e Å3
S = 1.13Δρmin = 0.72 e Å3
1176 reflectionsAbsolute structure: Flack (1983), 489 Friedel pairs
84 parametersAbsolute structure parameter: 0.01 (3)
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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*/Ueq
In10.64821 (4)0.40211 (3)0.62646 (2)0.00702 (8)
Te10.08894 (4)0.23257 (3)0.60885 (2)0.00781 (7)
Te20.17699 (4)0.55324 (3)0.64544 (2)0.00723 (8)
O10.4453 (4)0.5435 (3)0.6251 (2)0.0106 (7)
O20.1843 (5)0.5181 (3)0.7838 (2)0.0109 (7)
O30.3492 (4)0.2343 (3)0.3358 (2)0.0102 (6)
O40.1389 (4)0.4025 (3)0.5854 (2)0.0142 (7)
O50.5165 (4)0.2813 (3)0.5267 (2)0.0109 (7)
F10.50000.3250 (3)0.75000.0139 (9)
F20.7672 (6)0.50000.50000.0182 (11)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
In10.00808 (15)0.00621 (16)0.00677 (15)0.00056 (11)0.00022 (12)0.00067 (11)
Te10.00726 (13)0.00863 (14)0.00754 (14)0.00148 (12)0.00034 (12)0.00064 (12)
Te20.00774 (15)0.00666 (16)0.00730 (15)0.00059 (11)0.00071 (12)0.00030 (11)
O10.0071 (15)0.0081 (16)0.0165 (18)0.0002 (12)0.0008 (14)0.0003 (14)
O20.0115 (18)0.0128 (18)0.0085 (18)0.0020 (15)0.0025 (14)0.0040 (13)
O30.0086 (14)0.0101 (16)0.0120 (16)0.0022 (13)0.0024 (12)0.0006 (13)
O40.0185 (18)0.0058 (17)0.0184 (17)0.0059 (13)0.0009 (14)0.0037 (14)
O50.0154 (17)0.0104 (18)0.0068 (16)0.0008 (15)0.0008 (13)0.0028 (15)
F10.012 (2)0.012 (2)0.018 (2)0.0000.0060 (16)0.000
F20.010 (2)0.031 (3)0.013 (2)0.0000.0000.0054 (18)
Geometric parameters (Å, º) top
In1—O12.133 (3)O2—O2v2.715 (7)
In1—O2i2.112 (3)O2—O42.924 (5)
In1—O3ii2.140 (3)O2—O3viii2.943 (5)
In1—O52.100 (3)O2—O4v3.115 (4)
In1—F12.1068 (17)O2—Te1ix3.215 (3)
In1—F22.1565 (16)O3—Te1ii1.858 (3)
Te1—O1iii2.369 (3)O3—In1iv2.140 (3)
Te1—O3iv1.858 (3)O3—Te2vi2.694 (3)
Te1—O41.975 (3)O3—O4ii2.743 (4)
Te1—O5iv1.851 (3)O3—O2x2.943 (5)
Te2—O11.890 (3)O3—Te1x3.025 (3)
Te2—O21.854 (3)O3—O3xi3.076 (6)
Te2—O2v2.710 (3)O4—O3iv2.743 (4)
Te2—O3vi2.694 (3)O4—Te2vi3.074 (3)
Te2—O41.895 (3)O4—O2v3.115 (4)
Te2—O4vi3.074 (3)O4—O4vi3.140 (6)
O1—Te1vii2.369 (3)O5—Te1ii1.851 (3)
O2—In1i2.112 (3)F1—In1i2.1068 (17)
O2—Te2v2.710 (3)F2—In1vi2.1565 (16)
O5—In1—F189.68 (11)In1i—O2—O3viii46.60 (8)
O5—In1—O2i172.20 (12)Te2v—O2—O3viii89.38 (10)
F1—In1—O2i95.77 (11)O2v—O2—O3viii90.03 (9)
O5—In1—O1101.10 (12)O4—O2—O3viii76.31 (11)
F1—In1—O189.50 (12)Te2—O2—O4v127.33 (16)
O2i—In1—O184.57 (12)In1i—O2—O4v80.38 (11)
O5—In1—O3ii87.74 (12)O2v—O2—O4v59.72 (12)
F1—In1—O3ii81.10 (11)O4—O2—O4v102.83 (14)
O2i—In1—O3ii87.59 (12)O3viii—O2—O4v53.76 (9)
O1—In1—O3ii167.11 (11)Te2—O2—Te1ix106.20 (12)
O5—In1—F291.38 (10)In1i—O2—Te1ix87.34 (11)
F1—In1—F2171.69 (11)Te2v—O2—Te1ix101.32 (10)
O2i—In1—F284.04 (11)O2v—O2—Te1ix127.35 (8)
O1—In1—F282.20 (11)O4—O2—Te1ix141.08 (13)
O3ii—In1—F2107.17 (12)O3viii—O2—Te1ix131.95 (12)
O5iv—Te1—O3iv98.37 (13)O4v—O2—Te1ix115.53 (11)
O5iv—Te1—O488.94 (14)Te1ii—O3—In1iv130.00 (16)
O3iv—Te1—O491.33 (14)Te1ii—O3—Te2vi100.67 (13)
O5iv—Te1—O1iii83.97 (13)In1iv—O3—Te2vi109.26 (11)
O3iv—Te1—O1iii76.52 (12)Te1ii—O3—O4ii46.04 (10)
O4—Te1—O1iii164.83 (12)In1iv—O3—O4ii89.33 (12)
O5iv—Te1—O3viii172.10 (11)Te2vi—O3—O4ii142.68 (13)
O3iv—Te1—O3viii73.76 (12)Te1ii—O3—O2x110.88 (15)
O4—Te1—O3viii90.40 (11)In1iv—O3—O2x45.81 (9)
O1iii—Te1—O3viii94.78 (10)Te2vi—O3—O2x148.17 (13)
O5iv—Te1—O2xii119.27 (12)O4ii—O3—O2x66.34 (11)
O3iv—Te1—O2xii115.00 (11)Te1ii—O3—Te1x103.29 (11)
O4—Te1—O2xii135.54 (11)In1iv—O3—Te1x114.13 (11)
O1iii—Te1—O2xii59.23 (9)Te2vi—O3—Te1x92.45 (9)
O3viii—Te1—O2xii66.05 (8)O4ii—O3—Te1x109.50 (11)
O2—Te2—O195.60 (15)O2x—O3—Te1x84.48 (10)
O2—Te2—O4102.49 (14)Te1ii—O3—O3xi70.78 (11)
O1—Te2—O491.57 (14)In1iv—O3—O3xi127.96 (10)
O2—Te2—O3vi95.13 (12)Te2vi—O3—O3xi111.74 (7)
O1—Te2—O3vi67.98 (11)O4ii—O3—O3xi76.81 (12)
O4—Te2—O3vi154.30 (11)O2x—O3—O3xi83.40 (9)
O2—Te2—O2v70.15 (15)Te2—O4—Te1146.56 (18)
O1—Te2—O2v163.14 (12)Te2—O4—O3iv117.00 (15)
O4—Te2—O2v83.12 (11)Te1—O4—O2108.42 (14)
O3vi—Te2—O2v120.82 (9)O3iv—O4—O289.88 (12)
O2—Te2—O4vi175.52 (12)Te2—O4—Te2vi104.42 (12)
O1—Te2—O4vi87.51 (11)Te1—O4—Te2vi109.02 (12)
O4—Te2—O4vi74.15 (12)O3iv—O4—Te2vi121.63 (12)
O3vi—Te2—O4vi89.02 (8)O2—O4—Te2vi142.25 (12)
O2v—Te2—O4vi106.24 (9)Te2—O4—O2v59.74 (10)
Te2—O1—In1134.23 (15)Te1—O4—O2v101.26 (12)
Te2—O1—Te1vii112.17 (13)O3iv—O4—O2v59.90 (11)
In1—O1—Te1vii113.35 (12)O2—O4—O2v53.32 (13)
Te2—O2—In1i133.72 (18)Te2vi—O4—O2v122.28 (12)
Te2—O2—Te2v106.08 (14)Te2—O4—O4vi70.37 (12)
In1i—O2—Te2v114.42 (12)Te1—O4—O4vi142.44 (19)
Te2—O2—O2v69.88 (13)O3iv—O4—O4vi131.54 (9)
In1i—O2—O2v134.70 (13)O2—O4—O4vi108.58 (15)
In1i—O2—O4106.02 (13)O2v—O4—O4vi95.56 (11)
Te2v—O2—O4105.58 (13)Te1ii—O5—In1122.13 (16)
O2v—O2—O466.96 (12)In1—F1—In1i131.1 (2)
Te2—O2—O3viii115.54 (15)In1vi—F2—In1134.8 (2)
Symmetry codes: (i) x+1, y, z+3/2; (ii) x+1/2, y+1/2, z+1; (iii) x1/2, y1/2, z; (iv) x1/2, y+1/2, z+1; (v) x, y, z+3/2; (vi) x, y+1, z+1; (vii) x+1/2, y+1/2, z; (viii) x+1/2, y+1/2, z+1/2; (ix) x+1/2, y+1/2, z+3/2; (x) x+1/2, y+1/2, z1/2; (xi) x+1, y, z+1/2; (xii) x+1/2, y1/2, z+3/2.

Experimental details

Crystal data
Chemical formulaInTe2O5F
Mr469.02
Crystal system, space groupOrthorhombic, C2221
Temperature (K)293
a, b, c (Å)6.964 (2), 11.300 (3), 13.088 (4)
V3)1029.9 (5)
Z8
Radiation typeMo Kα
µ (mm1)15.66
Crystal size (mm)0.02 × 0.02 × 0.01
Data collection
DiffractometerNonius KappaCCD raea-detector
diffractometer
Absorption correctionMulti-scan
(SADABS; Bruker, 2001)
Tmin, Tmax0.754, 0.829
No. of measured, independent and
observed [I > 2σ(I)] reflections
15068, 1176, 1113
Rint0.044
(sin θ/λ)max1)0.649
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.015, 0.024, 1.13
No. of reflections1176
No. of parameters84
Δρmax, Δρmin (e Å3)0.69, 0.72
Absolute structureFlack (1983), 489 Friedel pairs
Absolute structure parameter0.01 (3)

Computer programs: COLLECT (Nonius, 2004), DIRAX/LSQ (Duisenberg et al., 2003), EVALCCD (Duisenberg et al., 2003), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008) and WinGX (Farrugia, 2012), DIAMOND (Brandenburg, 1999), SHELXL97 (Sheldrick, 2008).

Selected bond lengths (Å) top
In1—O12.133 (3)Te1—O41.975 (3)
In1—O2i2.112 (3)Te1—O5iv1.851 (3)
In1—O3ii2.140 (3)Te2—O11.890 (3)
In1—O52.100 (3)Te2—O21.854 (3)
In1—F12.1068 (17)Te2—O2v2.710 (3)
In1—F22.1565 (16)Te2—O3vi2.694 (3)
Te1—O1iii2.369 (3)Te2—O41.895 (3)
Te1—O3iv1.858 (3)Te2—O4vi3.074 (3)
Symmetry codes: (i) x+1, y, z+3/2; (ii) x+1/2, y+1/2, z+1; (iii) x1/2, y1/2, z; (iv) x1/2, y+1/2, z+1; (v) x, y, z+3/2; (vi) x, y+1, z+1.
Bond valences (v.u.) for InTe2O5F [Define νi?] top
AtomIn1Te1Te2νi
O10.5360.3471.2652.15
O20.5671.394/0.1382.10
O30.5261.3790.1442.05
O41.0051.248/0.0522.30
O50.5861.4061.99
F10.4270.85
F20.3730.75
νi3.024.144.24
 

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