RbFe(HAsO₄)₂ and TlFe(HAsO₄)₂, two new hydrogenarsenates adopting two closely related structure types

Rubidium iron bis­[hydrogen arsenate(V)], RbFe(HAsO₄)₂, and thallium iron bis­[hydrogen arsenate(V)], TlFe(HAsO₄)₂, were grown under mild hydro­thermal conditions (T = 493 K, 7 d). RbFe(HAsO₄)₂ adopts the RbFe(HPO₄)₂ structure type (space group R-3c), while TlFe(HAsO₄)₂ crystallizes in the (NH₄)Fe(HPO₄)₂ structure type (space group P-1. Both compounds have tetra­hedral–octa­hedral framework topologies. The M⁺ cations are located in channels of the respective framework and are disordered in TlFe(HAsO₄)₂, which may suggest that the M⁺ cations can move in the channels.

1. Chemical context

Compounds with mixed tetra­hedral–octa­hedral (T–O) framework structures exhibit a broad range of different topologies, resulting in structures with various inter­esting properties. Arsenates, similar to phosphates or silicates, tend to form T–O framework structures, with properties such as ion conductivity (Chouchene et al., 2017; d'Yvoire et al., 1983, 1986, 1988; Masquelier et al., 1990, 1994, 1995, 1996,1998; Ouerfelli et al., 2007a, 2008; Pintard-Scrépel et al., 1983) and ion exchange (Masquelier et al., 1996), as well as unusual piezoelectric (Cambon et al., 2003, 2005; Krempl, 2005; Ren et al., 2015), magnetic (Ouerfelli et al., 2007b) or non-linear optical features (frequency doubling) (Carvajal et al., 2005; Kato, 1975; Sun et al., 2017). To further increase the know­ledge about the possible compounds and structure types of arsenates, a comprehensive study of the system M⁺–M³⁺–O–(H)–As⁵⁺ (M⁺ = Li, Na, K, Rb, Cs, Ag, Tl, NH₄; M³⁺ = Al, Ga, In, Sc, Fe, Cr, Tl) was undertaken, which led to a large number of new compounds, most of which have been published (Schwendtner & Kolitsch, 2004, 2017, 2018 and references therein).

Among the many different structure types found during our study, one atomic arrangement, the RbFe(HPO₄)₂ type (Lii & Wu, 1994; rhombohedral, Rc), was found to be extremely versatile, allowing the incorporation of a wide variety of cations. Representatives of this structure type are presently known among arsenates and phosphates containing Rb or Cs as the M⁺ cation and Al, Ga, Fe, In as M³⁺; see Table 1 for a complete compilation of these compounds. RbFe(HAsO₄)₂ (Fig. 1a) is the fifth arsenate adopting this structure type. There is only one other Rb–Fe–arsenate known to date, Rb₂Fe₂O(AsO₄)₂ (Chang et al., 1997; Garlea et al., 2014). The literature reports one arsenate containing Tl and Fe, the diarsenate TlFe_0.22Al_0.78As₂O₇ (Ouerfelli et al., 2007a); however, the second title compound, TlFe(HAsO₄)₂ (Fig. 1b), is the sole arsenate containing only Tl and Fe to date. It adopts the triclinic (P) (NH₄)Fe(HPO₄)₂ structure type (Yakubovich, 1993), along with CsSc(HAsO₄)₂ (Schwendtner & Kolitsch, 2004) and (NH₄)Fe(HAsO₄)₂ (Ouerfelli et al., 2014) as arsenate members and a wide variety of phosphate members (see compilation in Table 1). These two structure types are closely related, the (NH₄)Fe(HPO₄)₂ structure type (Yakubovich, 1993) representing a distorted version of the RbFe(HPO₄)₂-type atomic arrangement (Lii & Wu, 1994).

Table 1
Compilation of all published compounds adopting the (NH₄)Fe(HPO₄)₂ structure type (Yakubovich, 1993) and the RbFe(HPO₄)₂ structure type (Lii & Wu, 1994)

(NH4)Fe(HPO4)2 type (P, Z = 3)
	a (Å)	b (Å)	c (Å)	α (°)	β (°)	γ (°)	V (Å^3)
CsSc(HAsO4)2^a	7.520 (2)	9.390 (2)	10.050 (2)	65.48 (3)	70.66 (3)	70.10 (3)	592.0 (2)
TlFe(HAsO4)2	7.346 (2)	9.148 (2)	9.662 (2)	64.89 (3)	70.51 (3)	69.94 (3)	538.6 (2)
(NH4)Fe(HAsO4)2^b	7.3473 (7)	9.1917 (8)	9.7504 (9)	64.545 (5)	70.710 (7)	69.638 (6)	544.54 (2)
(NH4)Fe(HPO4)2^c	7.185 (3)	8.857 (3)	9.478 (3)	64.79 (3)	70.20 (3)	69.38 (3)	498.0 (3)
(NH4)Fe(HPO4)2^d	7.121	8.839	9.465	64.598	70.321	69.574	491.88
(NH4)V(HPO4)2^e	7.173 (2)	8.841 (2)	9.458 (2)	65.08 (2)	70.68 (2)	69.59 (2)	497.59 (2)
(NH4)(Al0.64Ga0.36)^f(HPO4)2	7.109 (4)	8.695 (4)	9.252 (6)	65.01 (4)	70.25 (5)	69.01 (4)	472.1 (4)
(ND4)Fe(DPO4)2^d,^g	7.11830 (3)	8.83828 (4)	9.46407 (4)	64.5802 (4)	70.3127 (4)	69.5733 (5)	491.495 (4)
KFe(HPO4)2^h	7.20	8.76	9.49	64.58	69.82	70.13
(H3O)Al(HPO4)2^i	7.1177 (2)	8.6729 (2)	9.2200 (3)	65.108 (2)	70.521 (1)	68.504 (2)	469.4 (2)
CsIn(HPO4)2^j	7.4146 (3)	9.0915 (3)	9.7849 (3)	65.525 (3)	70.201 (3)	69.556 (3)	547.77 (4)
RbFe(HPO4)2^j	7.2025 (4)	8.8329 (8)	9.4540 (8)	65.149 (8)	70.045 (6)	69.591 (6)	497.44 (8)
RbV(HPO4)2^k	7.188 (2)	8.831 (1)	9.450(2	65.34	70.449	69.739	498.5 (2)
RbFe(HPO4)2 type (Rc, Z = 18)
RbIn(HAsO4)2^l	8.512 (1)	8.512 (1)	56.43 (1)	90	90	120	3541.1 (9)
CsIn(HAsO4)2^l	8.629 (1)	8.629 (1)	56.99 (1)	90	90	120	3674.7 (9)
RbAl(HAsO4)2^m	8.318 (1)	8.318 (1)	52.87 (1)	90	90	120	3167.9 (9)
RbFe(HAsO4)2	8.425 (1)	8.425 (1)	54.75 (1)	90	90	120	3365.5 (9)
CsFe(HAsO4)2^m	8.525 (1)	8.525 (1)	55.00 (1)	90	90	120	3461.5 (9)
RbFe(HPO4)2^n	8.160 (1)	8.160 (1)	52.75 (1)	90	90	120	3041.82
RbAl(HPO4)2^j	8.0581 (18)	8.0581 (18)	51.081 (12)	90	90	120	2872 (11)
RbGa(HPO4)2^j	8.1188 (15)	8.1188 (15)	51.943 (4)	90	90	120	2965.1 (8)
Notes: (a) Schwendtner & Kolitsch (2004); (b) Ouerfelli et al. (2014); (c) Yakubovich (1993), transformed from I; (d) Alfonso et al. (2011), converted to reduced cell; (e) Bircsak & Harrison (1998); (f) Stalder & Wilkinson (1998); (g) Alfonso et al. (2010); (h) Smith & Brown (1959); (i) Yan et al. (2000); (j) Lesage et al. (2007); (k) Haushalter et al. (1995), converted to reduced cell; (l) Schwendtner & Kolitsch (2017); (m) Schwendtner & Kolitsch (2018); (n) Lii & Wu (1994).

Figure 1 SEM micrographs of crystals of (a) RbFe(HAsO4)2 and (b) TlFe(HAsO4)2.

2. Structural commentary

The two structure types are very closely related to each other and are modifications of a basic tetra­hedral–octa­hedral framework structure (Figs. 2–4) containing inter­penetrating channels, which host the M⁺ cations. The general building unit in these structure types contains M³⁺O₆ octa­hedra, which are connected via their six corners to six protonated AsO₄ tetra­hedra (M³⁺As₆O₂₄ group). These are in turn connected via three corners to other M³⁺O₆ octa­hedra, the free, protonated corner of each AsO₄ tetra­hedron forming a hydrogen bond to the neighbouring M³⁺As₆O₂₄ group. In both types, the M³⁺As₆O₂₄ groups are arranged in layers perpendicular to the c axis (Fig. 2a) and parallel to the ab plane (Fig. 3a). The groups within these layers are held together by medium-strong hydrogen bonds (Tables 2 and 3). The different modifications are caused by strong distortion of the whole structure (see detailed comparison in Lesage et al., 2007).

Table 2
Hydrogen-bond geometry (Å, °) for RbFe(HAsO₄)₂

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O3—H⋯O4^xxi	0.81 (3)	1.82 (3)	2.615 (3)	166 (4)
Symmetry code: (xxi) .

Table 3
Hydrogen-bond geometry (Å, °) for TlFe(HAsO₄)₂

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O2—H2⋯O9^iii	0.85 (3)	1.86 (3)	2.707 (3)	176 (5)
O8—H8⋯O10^v	0.982 (2)	1.598 (2)	2.569 (3)	169.44 (15)
O12—H12⋯O3	0.88 (3)	1.86 (3)	2.729 (3)	172 (5)
Symmetry codes: (iii) x+1, y, z; (v) x, y+1, z.

Figure 2 Structure drawing of RbFe(HAsO4)2 along (a) [100] and (b) [001]. The Rb atoms, located in channels of the framework structure, are shown with displacement ellipsoids at the 70% probability level. Hydrogen bonds are shown as dashed lines.

Figure 3 Structure drawing of TlFe(HAsO4)2 along (a) [100] and (b) [101]. The disordered Tl atoms are shown with displacement ellipsoids at the 70% probability level. Hydrogen bonds are shown as dashed lines.

Figure 4 The principal building units of (a) RbFe(HAsO4)2 and (b) TlFe(HAsO4)2 shown as displacement ellipsoids at the 70% probability level. Symmetry codes: RbFe(HAsO4)2: (i) x − y, −y, −z + ; (ii) −x, −x + y, −z + ; (iii) −x + y, −x, z; (iv) y, x, −z + ; (v) −y, x − y, z; (vi) −x + , −y − , −z + ; (vii) y + , −x + y+, −z + ; (viii) x − y − , x − , −z + ; (ix) x − , x − y − , z − ; (x) −y − , −x + , z − ; (xi) −x + y + , y + , z − ; (xii) −x − , −y − , −z + ; (xiii) y + , −x + y + , −z + ; (xiv) x − y − , x + , −z + ; (xv) −y, x − y + 1, z; (xvi) x + 1, y + 1, z; (xvii) x, y + 1, z; (xviii) −x + y + 1, −x + 1, z; (xix) −x + , −y + , −z + ; (xx) x − 1, y, z; TlFe(HAsO4)2: −z; (ii) −x, −y + 2, −z; (iv) −x + 1, −y + 1, −z; (viii) −x, −y + 1, −z + 1; (ix) −x, −y + 1, −z.

In both compounds the Tl/Rb atoms are 12-coordinated (Tables 4 and 5). The average Tl—O (3.279 and 3.312 Å) and Rb—O (3.257 and 3.390 Å) bond lengths are longer than the grand mean bond lengths in Tl/RbO₁₂ polyhedra of 3.195 (Gagné & Hawthorne, 2018) and 3.228 Å (Gagné & Hawthorne, 2016), thus leading to rather low bond-valence sums (BVSs) (Gagné & Hawthorne, 2015) for the involved M⁺ cations (0.76/0.88 and 0.82/0.85 valence units, v.u., for the RbFe and TlFe representative, respectively). The average Tl2—O bond length in TlFe(HAsO₄)₂ (3.312 Å) is the longest average bond length found so far for TlO₁₂ polyhedra (max. Tl—O = 3.304 Å; Gagné & Hawthorne, 2018) and the corresponding average Rb2—O bond length in RbFe(HAsO₄)₂ is also close to the longest observed such bond lengths in RbO₁₂ polyhedra of 3.410 Å (Gagné & Hawthorne, 2016). These loose bonds reflect the observation that the alkali cations `rattle' somewhat in their hosting voids, with considerable positional disorder of the Tl atoms in these voids (Fig. 4b). The Tl atoms were therefore modelled with two Tl1 positions (Tl1A, Tl1B) and three Tl2 positions (Tl2A, Tl2B, Tl2C), between 0.28 (2) and 0.48 (2) Å apart. The refined occupancies of the dominant positions (Tl1A and Tl2A) are 63 and 45%, respectively. The influence of a stereochemically active lone pair of electrons on the Tl⁺ cations may also play a role in the positional disorder.

Table 4
Selected bond lengths (Å) for RbFe(HAsO₄)₂

Rb1—O3	3.146 (2)	Rb2—O4^xi	3.562 (2)
Rb1—O3^i	3.147 (2)	Rb2—O3^xii	3.640 (2)
Rb1—O3^ii	3.147 (2)	Rb2—O3^xiii	3.640 (2)
Rb1—O3^iii	3.147 (2)	Rb2—O3^xiv	3.640 (2)
Rb1—O3^iv	3.147 (2)	Fe1—O2^xv	1.9957 (18)
Rb1—O3^v	3.147 (2)	Fe1—O2^iii	1.9957 (18)
Rb1—O2^ii	3.3671 (19)	Fe1—O2^xvi	1.9957 (18)
Rb1—O2^iv	3.3671 (19)	Fe1—O4^xvii	2.0055 (19)
Rb1—O2^iii	3.3671 (19)	Fe1—O4^v	2.0055 (18)
Rb1—O2^i	3.3671 (19)	Fe1—O4^xviii	2.0055 (18)
Rb1—O2^v	3.3671 (19)	Fe2—O1^vii	1.998 (2)
Rb1—O2	3.3671 (19)	Fe2—O1^xiv	1.998 (2)
Rb2—O3^v	2.965 (2)	Fe2—O1^xix	1.998 (2)
Rb2—O3^iii	2.965 (2)	Fe2—O1^v	1.998 (2)
Rb2—O3	2.965 (2)	Fe2—O1^xviii	1.998 (2)
Rb2—O1^vi	3.394 (2)	Fe2—O1^xvii	1.998 (2)
Rb2—O1^vii	3.394 (2)	As—O1^xx	1.6555 (19)
Rb2—O1^viii	3.394 (2)	As—O2	1.6720 (18)
Rb2—O4^ix	3.562 (2)	As—O4^ii	1.6801 (18)
Rb2—O4^x	3.562 (2)	As—O3	1.742 (2)
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) ; (viii) ; (ix) ; (x) ; (xi) ; (xii) ; (xiii) ; (xiv) ; (xv) ; (xvi) x+1, y+1, z; (xvii) x, y+1, z; (xviii) ; (xix) ; (xx) .

Table 5
Selected bond lengths (Å) for TlFe(HAsO₄)₂

Tl1A—O1	2.853 (2)	Fe1—O4^viii	1.942 (2)
Tl1A—O1^i	2.853 (2)	Fe1—O4	1.942 (2)
Tl1A—O8^i	3.094 (3)	Fe1—O6^viii	2.015 (2)
Tl1A—O8	3.094 (3)	Fe1—O6	2.015 (2)
Tl1A—O2	3.227 (3)	Fe1—O9	2.060 (2)
Tl1A—O2^i	3.227 (3)	Fe1—O9^viii	2.060 (2)
Tl1A—O7^ii	3.344 (2)	Fe2—O5	1.946 (2)
Tl1A—O7^iii	3.344 (2)	Fe2—O11	1.970 (2)
Tl1A—O5^ii	3.543 (2)	Fe2—O1	1.978 (2)
Tl1A—O5^iii	3.543 (2)	Fe2—O10^ix	2.014 (2)
Tl1A—O12^iv	3.615 (3)	Fe2—O7^ii	2.044 (2)
Tl1A—O12^v	3.615 (3)	Fe2—O3^iv	2.065 (2)
Tl2A—O3^vi	2.804 (4)	As1—O4	1.652 (2)
Tl2A—O2	2.852 (4)	As1—O1	1.668 (2)
Tl2A—O6^iii	2.936 (5)	As1—O3	1.683 (2)
Tl2A—O12^v	3.020 (4)	As1—O2	1.720 (2)
Tl2A—O8	3.091 (5)	As2—O6	1.670 (2)
Tl2A—O7^iii	3.362 (5)	As2—O5	1.671 (2)
Tl2A—O7^vii	3.450 (4)	As2—O7	1.684 (2)
Tl2A—O9^viii	3.523 (5)	As2—O8	1.738 (2)
Tl2A—O10^viii	3.572 (5)	As3—O11	1.655 (2)
Tl2A—O12^vi	3.638 (5)	As3—O10	1.6730 (19)
Tl2A—O4^vi	3.691 (4)	As3—O9	1.679 (2)
Tl2A—O4	3.811 (5)	As3—O12	1.721 (2)
Symmetry codes: (i) ; (ii) ; (iii) x+1, y, z; (iv) ; (v) x, y+1, z; (vi) ; (vii) ; (viii) ; (ix) .

The average Fe—O bond lengths, which show a fairly narrow range between 1.998 and 2.006 Å for the four FeO₆ octa­hedra in the two title compounds, are slightly lower than the corresponding grand mean average of 2.011 Å reported by Baur (1981), thus leading to slightly higher BVSs of between 3.11 and 3.15 v.u. (Gagné & Hawthorne, 2015).

The AsO₄ tetra­hedra are distorted with three short bond lengths of those bonds connecting to neighbouring FeO₆ octa­hedra and one considerably elongated bond length to the protonated corner. The average As—O bond lengths are close to the calculated average of 1.686 (10) Å (calculated on 704 AsO₄ polyhedra; Schwendtner, 2008), and the two As—OH bond lengths (Tables 3 and 4) are also close to the average of such lengths in HAsO₄ polyhedra of 1.72 (3) Å (Schwendtner, 2008), but the two bond lengths to O atoms with rather strong hydrogen bonds [D⋯A = 2.569 (3) and 2.615 (3) Å] are considerably elongated to 1.738 (2) and 1.742 (2) Å, respectively (Tables 2 and 3).

3. Synthesis and crystallization

The compounds were grown by hydro­thermal synthesis at 493 K (7 d, autogeneous pressure, slow furnace cooling) using Teflon-lined stainless steel autoclaves with an approximate filling volume of 2 cm³. Reagent-grade Rb₂CO₃/Tl₂CO₃, Fe₂O₃ and H₃AsO₄·0.5H₂O were used as starting reagents in approximate volume ratios of M⁺:M³⁺:As of 1:1:2. The vessels were filled with distilled water to about 70% of their inner volumes which led to initial and final pH values of 1.5 and 1, respectively, for both synthesis batches. The reaction products were washed thoroughly with distilled water, filtered and dried at room temperature. They are stable in air.

RbFe(HAsO₄)₂ formed colorless pseudohexa­gonal platelets (Fig. 1a). TlFe(HAsO₄)₂ formed pseudo-`disphenoidic-monoclinic', short prismatic, colourless glassy crystals (Fig. 1b), some of which showed fine-grained red inclusions, probably either unreacted Fe₂O₃ or some Fe–O–(OH) compound, mainly in the core of the crystals.

Measured X-ray powder diffraction diagrams of RbFe(HAsO₄)₂ and TlFe(HAsO₄)₂ were deposited at the Inter­national Centre for Diffraction Data under PDF numbers 00-057-0160 (Prem et al., 2005a) and 00-057-0159 (Prem et al., 2005b), respectively.

The chemical compositions of the title compounds were checked by standard SEM–EDS analysis of several carbon-coated crystals of each compound; no impurities could be detected.

4. Refinement

Crystal data, data collection and structure refinement details are summarized in Table 6.

Table 6
Experimental details

	RbFe(HAsO4)2	TlFe(HAsO4)2
Crystal data
Mr	421.18	540.08
Crystal system, space group	Trigonal, Rc:H	Triclinic, P
Temperature (K)	293	293
a, b, c (Å)	8.425 (1), 8.425 (1), 54.749 (11)	7.346 (2), 9.148 (2), 9.662 (2)
α, β, γ (°)	90, 90, 120	64.89 (3), 70.51 (3), 69.94 (3)
V (Å^3)	3365.5 (10)	538.6 (3)
Z	18	3
Radiation type	Mo Kα	Mo Kα
μ (mm^−1)	17.27	33.58
Crystal size (mm)	0.09 × 0.08 × 0.03	0.10 × 0.05 × 0.04
Data collection
Diffractometer	Nonius KappaCCD single-crystal four-circle	Nonius KappaCCD single-crystal four-circle
Absorption correction	Multi-scan (HKL SCALEPACK; Otwinowski et al., 2003)	Multi-scan (HKL SCALEPACK; Otwinowski et al., 2003)
Tmin, Tmax	0.306, 0.625	0.134, 0.347
No. of measured, independent and observed [I > 2σ(I)] reflections	3994, 1105, 1014	7723, 3906, 3391
Rint	0.023	0.021
(sin θ/λ)max (Å^−1)	0.704	0.758
Refinement
R[F^2 > 2σ(F^2)], wR(F^2), S	0.021, 0.052, 1.12	0.022, 0.051, 1.06
No. of reflections	1105	3906
No. of parameters	62	208
No. of restraints	1	4
H-atom treatment	All H-atom parameters refined	Only H-atom displacement parameters refined
Δρmax, Δρmin (e Å^−3)	0.87, −0.72	0.96, −1.13
Computer programs: COLLECT (Nonius, 2003), HKL DENZO and SCALEPACK (Otwinowski et al., 2003), SHELXS97 (Sheldrick, 2008), SHELXL2016 (Sheldrick, 2015), DIAMOND (Brandenburg, 2005), publCIF (Westrip, 2010) and WinGX (Farrugia, 2012).

For the final refinement the atomic positions of RbFe(HPO₄)₂ (Lii & Wu, 1994) and CsSc(HAsO₄)₂ (Schwendtner & Kolitsch, 2004) were used for RbFe(HAsO₄)₂ and TlFe(HAsO₄)₂, respectively. The H atoms were then located from the difference-Fourier map and O—H distances were restrained to 0.90 (4) Å. The position of H8 was fixed to the coordinates where it was located in the difference-Fourier map, since a refinement of the position led to an unreasonably close distance to the neighbouring As atom. At this point, electron densities of up to 2.79 and 4.71 e Å⁻³, respectively, were found close to the Tl1 and Tl2 atoms, along with anomalous displacement ellipsoids of these atoms. This suggested the presence of positional disorder (and, possibly, some mobility) of the Tl atoms in the cavities. The disorder was then modeled by additional, partially occupied Tl positions. The bulk occupancy for each of the two disordered Tl positions (Tl1A and Tl1B for Tl1 and Tl2A, Tl2B and Tl2C for Tl2) was constrained to 1.00. As a result, the R value dropped from 0.0335 to 0.0224, and the weight parameters also improved. Final equivalent isotropic displacement parameters of all the partially occupied Tl sites are reasonable, with values between ca 0.03 and 0.04 Ų, very similar to those in the Rb compound. The final residual electron densities are < 1 e Å⁻³ for both compounds.

Supporting information

Computing details

For both structures, data collection: COLLECT (Nonius, 2003); cell refinement: HKL SCALEPACK (Otwinowski et al., 2003); data reduction: HKL DENZO and SCALEPACK (Otwinowski et al., 2003); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2016 (Sheldrick, 2015); molecular graphics: DIAMOND (Brandenburg, 2005). Software used to prepare material for publication: publCIF (Westrip, 2010) for RbFeHAsO42; WinGX (Farrugia, 2012) for TlFeHAsO42.

Rubidium iron bis[hydrogen arsenate(V)] (RbFeHAsO42)

Crystal data

RbFe(HAsO4)2	Dx = 3.741 Mg m^−3
Mr = 421.18	Mo Kα radiation, λ = 0.71073 Å
Trigonal, R3c:H	Cell parameters from 2.794 reflections
a = 8.425 (1) Å	θ = 2.9–30.0°
c = 54.749 (11) Å	µ = 17.27 mm^−1
V = 3365.5 (10) Å^3	T = 293 K
Z = 18	Hexagonal platelet, colourless
F(000) = 3510	0.09 × 0.08 × 0.03 mm

Data collection

Nonius KappaCCD single-crystal four-circle diffractometer	1014 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.023
φ and ω scans	θmax = 30.0°, θmin = 2.9°
Absorption correction: multi-scan (HKL SCALEPACK; Otwinowski et al., 2003)	h = −11→11
Tmin = 0.306, Tmax = 0.625	k = −9→9
3994 measured reflections	l = −76→76
1105 independent reflections

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.021	All H-atom parameters refined
wR(F^2) = 0.052	w = 1/[σ^2(Fo^2) + (0.0241P)^2 + 19.8694P] where P = (Fo^2 + 2Fc^2)/3
S = 1.12	(Δ/σ)max = 0.001
1105 reflections	Δρmax = 0.87 e Å^−3
62 parameters	Δρmin = −0.72 e Å^−3
1 restraint	Extinction correction: SHELXL2016 (Sheldrick, 2015), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.000112 (19)

Special details

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Rb1	0.000000	0.000000	0.750000	0.03271 (19)
Rb2	0.000000	0.000000	0.66752 (2)	0.03704 (16)
Fe1	0.333333	0.666667	0.75352 (2)	0.00828 (13)
Fe2	0.333333	0.666667	0.666667	0.00999 (17)
As	−0.42107 (3)	−0.38770 (3)	0.71298 (2)	0.00949 (9)
O1	0.4739 (3)	−0.4215 (3)	0.68632 (3)	0.0215 (4)
O2	−0.4425 (2)	−0.2504 (2)	0.73312 (3)	0.0123 (3)
O3	−0.1873 (3)	−0.2762 (3)	0.70652 (4)	0.0200 (4)
O4	0.4749 (2)	−0.1197 (2)	0.77593 (3)	0.0117 (3)
H	−0.149 (5)	−0.342 (4)	0.7113 (6)	0.022 (10)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Rb1	0.0391 (3)	0.0391 (3)	0.0199 (4)	0.01955 (14)	0.000	0.000
Rb2	0.0453 (2)	0.0453 (2)	0.0205 (3)	0.02266 (12)	0.000	0.000
Fe1	0.00900 (18)	0.00900 (18)	0.0068 (3)	0.00450 (9)	0.000	0.000
Fe2	0.0122 (3)	0.0122 (3)	0.0055 (4)	0.00610 (13)	0.000	0.000
As	0.01225 (14)	0.01058 (13)	0.00780 (13)	0.00733 (10)	0.00099 (9)	0.00115 (9)
O1	0.0324 (12)	0.0306 (11)	0.0101 (8)	0.0222 (10)	−0.0067 (8)	−0.0012 (8)
O2	0.0127 (8)	0.0115 (8)	0.0126 (8)	0.0060 (7)	0.0039 (7)	−0.0015 (7)
O3	0.0153 (9)	0.0184 (10)	0.0295 (11)	0.0110 (8)	0.0104 (8)	0.0129 (8)
O4	0.0128 (8)	0.0108 (8)	0.0138 (8)	0.0076 (7)	−0.0019 (7)	−0.0048 (7)

Geometric parameters (Å, º)

Rb1—O3	3.146 (2)	Rb2—O3^xii	3.640 (2)
Rb1—O3^i	3.147 (2)	Rb2—O3^xiii	3.640 (2)
Rb1—O3^ii	3.147 (2)	Rb2—O3^xiv	3.640 (2)
Rb1—O3^iii	3.147 (2)	Rb2—As^xii	3.8044 (6)
Rb1—O3^iv	3.147 (2)	Rb2—As^xiii	3.8044 (6)
Rb1—O3^v	3.147 (2)	Rb2—As^xiv	3.8044 (6)
Rb1—O2^ii	3.3671 (19)	Fe1—O2^xv	1.9957 (18)
Rb1—O2^iv	3.3671 (19)	Fe1—O2^iii	1.9957 (18)
Rb1—O2^iii	3.3671 (19)	Fe1—O2^xvi	1.9957 (18)
Rb1—O2^i	3.3671 (19)	Fe1—O4^xvii	2.0055 (19)
Rb1—O2^v	3.3671 (19)	Fe1—O4^v	2.0055 (18)
Rb1—O2	3.3671 (19)	Fe1—O4^xviii	2.0055 (18)
Rb1—H	3.28 (3)	Fe2—O1^vii	1.998 (2)
Rb1—H^v	3.28 (4)	Fe2—O1^xiv	1.998 (2)
Rb1—H^iii	3.28 (3)	Fe2—O1^xix	1.998 (2)
Rb2—O3^v	2.965 (2)	Fe2—O1^v	1.998 (2)
Rb2—O3^iii	2.965 (2)	Fe2—O1^xviii	1.998 (2)
Rb2—O3	2.965 (2)	Fe2—O1^xvii	1.998 (2)
Rb2—O1^vi	3.394 (2)	As—O1^xx	1.6555 (19)
Rb2—O1^vii	3.394 (2)	As—O2	1.6720 (18)
Rb2—O1^viii	3.394 (2)	As—O4^ii	1.6801 (18)
Rb2—O4^ix	3.562 (2)	As—O3	1.742 (2)
Rb2—O4^x	3.562 (2)	O3—H	0.81 (3)
Rb2—O4^xi	3.562 (2)
O3—Rb1—O3^i	164.86 (8)	O4^xi—Rb2—As^xii	70.60 (3)
O3—Rb1—O3^ii	121.47 (8)	O3^xii—Rb2—As^xii	26.95 (3)
O3^i—Rb1—O3^ii	68.99 (6)	O3^xiii—Rb2—As^xii	62.25 (4)
O3—Rb1—O3^iii	68.99 (6)	O3^xiv—Rb2—As^xii	96.36 (4)
O3^i—Rb1—O3^iii	103.28 (7)	O3^v—Rb2—As^xiii	101.27 (5)
O3^ii—Rb1—O3^iii	164.86 (8)	O3^iii—Rb2—As^xiii	105.92 (5)
O3—Rb1—O3^iv	103.28 (8)	O3—Rb2—As^xiii	175.05 (4)
O3^i—Rb1—O3^iv	68.99 (6)	O1^vi—Rb2—As^xiii	88.88 (4)
O3^ii—Rb1—O3^iv	68.99 (6)	O1^vii—Rb2—As^xiii	25.79 (3)
O3^iii—Rb1—O3^iv	121.47 (8)	O1^viii—Rb2—As^xiii	104.27 (4)
O3—Rb1—O3^v	68.99 (6)	O4^ix—Rb2—As^xiii	53.64 (3)
O3^i—Rb1—O3^v	121.47 (8)	O4^x—Rb2—As^xiii	70.60 (3)
O3^ii—Rb1—O3^v	103.28 (7)	O4^xi—Rb2—As^xiii	26.10 (3)
O3^iii—Rb1—O3^v	68.99 (6)	O3^xii—Rb2—As^xiii	96.36 (4)
O3^iv—Rb1—O3^v	164.86 (8)	O3^xiii—Rb2—As^xiii	26.95 (3)
O3—Rb1—O2^ii	126.04 (5)	O3^xiv—Rb2—As^xiii	62.24 (4)
O3^i—Rb1—O2^ii	68.90 (5)	As^xii—Rb2—As^xiii	78.998 (15)
O3^ii—Rb1—O2^ii	48.72 (5)	O3^v—Rb2—As^xiv	175.05 (4)
O3^iii—Rb1—O2^ii	116.78 (5)	O3^iii—Rb2—As^xiv	101.27 (5)
O3^iv—Rb1—O2^ii	113.39 (5)	O3—Rb2—As^xiv	105.92 (5)
O3^v—Rb1—O2^ii	65.41 (5)	O1^vi—Rb2—As^xiv	104.27 (4)
O3—Rb1—O2^iv	65.40 (5)	O1^vii—Rb2—As^xiv	88.88 (4)
O3^i—Rb1—O2^iv	113.39 (5)	O1^viii—Rb2—As^xiv	25.79 (3)
O3^ii—Rb1—O2^iv	68.90 (5)	O4^ix—Rb2—As^xiv	70.60 (3)
O3^iii—Rb1—O2^iv	126.04 (5)	O4^x—Rb2—As^xiv	26.10 (3)
O3^iv—Rb1—O2^iv	48.72 (5)	O4^xi—Rb2—As^xiv	53.64 (3)
O3^v—Rb1—O2^iv	116.78 (5)	O3^xii—Rb2—As^xiv	62.24 (4)
O2^ii—Rb1—O2^iv	112.77 (3)	O3^xiii—Rb2—As^xiv	96.36 (4)
O3—Rb1—O2^iii	113.39 (5)	O3^xiv—Rb2—As^xiv	26.95 (3)
O3^i—Rb1—O2^iii	65.41 (5)	As^xii—Rb2—As^xiv	78.998 (15)
O3^ii—Rb1—O2^iii	116.78 (5)	As^xiii—Rb2—As^xiv	78.997 (15)
O3^iii—Rb1—O2^iii	48.72 (5)	O2^xv—Fe1—O2^iii	91.74 (8)
O3^iv—Rb1—O2^iii	126.04 (5)	O2^xv—Fe1—O2^xvi	91.74 (8)
O3^v—Rb1—O2^iii	68.90 (5)	O2^iii—Fe1—O2^xvi	91.74 (8)
O2^ii—Rb1—O2^iii	74.90 (6)	O2^xv—Fe1—O4^xvii	92.04 (8)
O2^iv—Rb1—O2^iii	171.63 (6)	O2^iii—Fe1—O4^xvii	175.92 (8)
O3—Rb1—O2^i	116.78 (5)	O2^xvi—Fe1—O4^xvii	89.66 (7)
O3^i—Rb1—O2^i	48.72 (5)	O2^xv—Fe1—O4^v	89.66 (7)
O3^ii—Rb1—O2^i	113.39 (5)	O2^iii—Fe1—O4^v	92.04 (8)
O3^iii—Rb1—O2^i	65.41 (5)	O2^xvi—Fe1—O4^v	175.92 (8)
O3^iv—Rb1—O2^i	68.90 (5)	O4^xvii—Fe1—O4^v	86.47 (8)
O3^v—Rb1—O2^i	126.04 (5)	O2^xv—Fe1—O4^xviii	175.92 (8)
O2^ii—Rb1—O2^i	112.77 (3)	O2^iii—Fe1—O4^xviii	89.66 (7)
O2^iv—Rb1—O2^i	112.77 (3)	O2^xvi—Fe1—O4^xviii	92.04 (7)
O2^iii—Rb1—O2^i	59.80 (6)	O4^xvii—Fe1—O4^xviii	86.47 (8)
O3—Rb1—O2^v	68.90 (5)	O4^v—Fe1—O4^xviii	86.47 (8)
O3^i—Rb1—O2^v	126.04 (5)	O2^xv—Fe1—Rb2^xxi	124.02 (5)
O3^ii—Rb1—O2^v	65.41 (5)	O2^iii—Fe1—Rb2^xxi	124.02 (6)
O3^iii—Rb1—O2^v	113.39 (5)	O2^xvi—Fe1—Rb2^xxi	124.02 (5)
O3^iv—Rb1—O2^v	116.78 (5)	O4^xvii—Fe1—Rb2^xxi	52.27 (6)
O3^v—Rb1—O2^v	48.72 (5)	O4^v—Fe1—Rb2^xxi	52.27 (5)
O2^ii—Rb1—O2^v	59.80 (6)	O4^xviii—Fe1—Rb2^xxi	52.27 (5)
O2^iv—Rb1—O2^v	74.90 (6)	O1^vii—Fe2—O1^xiv	93.72 (8)
O2^iii—Rb1—O2^v	112.77 (3)	O1^vii—Fe2—O1^xix	93.72 (8)
O2^i—Rb1—O2^v	171.63 (7)	O1^xiv—Fe2—O1^xix	93.72 (8)
O3—Rb1—O2	48.71 (5)	O1^vii—Fe2—O1^v	180.0
O3^i—Rb1—O2	116.78 (5)	O1^xiv—Fe2—O1^v	86.29 (8)
O3^ii—Rb1—O2	126.04 (5)	O1^xix—Fe2—O1^v	86.29 (8)
O3^iii—Rb1—O2	68.90 (5)	O1^vii—Fe2—O1^xviii	86.29 (8)
O3^iv—Rb1—O2	65.41 (5)	O1^xiv—Fe2—O1^xviii	180.0
O3^v—Rb1—O2	113.39 (5)	O1^xix—Fe2—O1^xviii	86.29 (8)
O2^ii—Rb1—O2	171.63 (6)	O1^v—Fe2—O1^xviii	93.71 (8)
O2^iv—Rb1—O2	59.80 (6)	O1^vii—Fe2—O1^xvii	86.29 (8)
O2^iii—Rb1—O2	112.77 (3)	O1^xiv—Fe2—O1^xvii	86.29 (8)
O2^i—Rb1—O2	74.90 (6)	O1^xix—Fe2—O1^xvii	180.0
O2^v—Rb1—O2	112.77 (3)	O1^v—Fe2—O1^xvii	93.71 (8)
O3—Rb1—H	14.3 (5)	O1^xviii—Fe2—O1^xvii	93.71 (8)
O3^i—Rb1—H	169.7 (7)	O1^vii—Fe2—Rb2^xix	58.77 (7)
O3^ii—Rb1—H	107.3 (5)	O1^xiv—Fe2—Rb2^xix	70.91 (7)
O3^iii—Rb1—H	82.4 (5)	O1^xix—Fe2—Rb2^xix	146.11 (6)
O3^iv—Rb1—H	100.7 (7)	O1^v—Fe2—Rb2^xix	121.23 (7)
O3^v—Rb1—H	68.4 (6)	O1^xviii—Fe2—Rb2^xix	109.09 (7)
O2^ii—Rb1—H	116.4 (6)	O1^xvii—Fe2—Rb2^xix	33.90 (6)
O2^iv—Rb1—H	56.8 (6)	O1^vii—Fe2—Rb2^xvii	121.23 (7)
O2^iii—Rb1—H	123.8 (6)	O1^xiv—Fe2—Rb2^xvii	109.09 (7)
O2^i—Rb1—H	129.4 (6)	O1^xix—Fe2—Rb2^xvii	33.90 (6)
O2^v—Rb1—H	57.1 (6)	O1^v—Fe2—Rb2^xvii	58.77 (7)
O2—Rb1—H	56.9 (6)	O1^xviii—Fe2—Rb2^xvii	70.91 (7)
O3—Rb1—H^v	82.4 (5)	O1^xvii—Fe2—Rb2^xvii	146.10 (6)
O3^i—Rb1—H^v	107.3 (6)	Rb2^xix—Fe2—Rb2^xvii	180.0
O3^ii—Rb1—H^v	100.7 (6)	O1^vii—Fe2—Rb2^xvi	109.09 (7)
O3^iii—Rb1—H^v	68.4 (7)	O1^xiv—Fe2—Rb2^xvi	33.90 (6)
O3^iv—Rb1—H^v	169.7 (6)	O1^xix—Fe2—Rb2^xvi	121.23 (7)
O3^v—Rb1—H^v	14.3 (5)	O1^v—Fe2—Rb2^xvi	70.91 (7)
O2^ii—Rb1—H^v	56.8 (6)	O1^xviii—Fe2—Rb2^xvi	146.10 (6)
O2^iv—Rb1—H^v	129.4 (6)	O1^xvii—Fe2—Rb2^xvi	58.77 (7)
O2^iii—Rb1—H^v	57.1 (6)	Rb2^xix—Fe2—Rb2^xvi	60.0
O2^i—Rb1—H^v	116.4 (6)	Rb2^xvii—Fe2—Rb2^xvi	120.0
O2^v—Rb1—H^v	56.9 (6)	O1^vii—Fe2—Rb2	33.90 (6)
O2—Rb1—H^v	123.8 (6)	O1^xiv—Fe2—Rb2	121.23 (7)
H—Rb1—H^v	82.7 (9)	O1^xix—Fe2—Rb2	109.09 (7)
O3—Rb1—H^iii	68.5 (6)	O1^v—Fe2—Rb2	146.10 (6)
O3^i—Rb1—H^iii	100.7 (6)	O1^xviii—Fe2—Rb2	58.77 (7)
O3^ii—Rb1—H^iii	169.7 (6)	O1^xvii—Fe2—Rb2	70.91 (7)
O3^iii—Rb1—H^iii	14.3 (5)	Rb2^xix—Fe2—Rb2	60.0
O3^iv—Rb1—H^iii	107.3 (5)	Rb2^xvii—Fe2—Rb2	120.0
O3^v—Rb1—H^iii	82.4 (5)	Rb2^xvi—Fe2—Rb2	120.0
O2^ii—Rb1—H^iii	129.4 (6)	O1^vii—Fe2—Rb2^xxii	70.91 (7)
O2^iv—Rb1—H^iii	116.4 (7)	O1^xiv—Fe2—Rb2^xxii	146.11 (6)
O2^iii—Rb1—H^iii	56.9 (6)	O1^xix—Fe2—Rb2^xxii	58.77 (7)
O2^i—Rb1—H^iii	56.8 (6)	O1^v—Fe2—Rb2^xxii	109.09 (7)
O2^v—Rb1—H^iii	123.8 (6)	O1^xviii—Fe2—Rb2^xxii	33.90 (6)
O2—Rb1—H^iii	57.1 (6)	O1^xvii—Fe2—Rb2^xxii	121.23 (7)
H—Rb1—H^iii	82.7 (9)	Rb2^xix—Fe2—Rb2^xxii	120.0
H^v—Rb1—H^iii	82.7 (9)	Rb2^xvii—Fe2—Rb2^xxii	60.0
O3^v—Rb2—O3^iii	73.88 (7)	Rb2^xvi—Fe2—Rb2^xxii	180.0
O3^v—Rb2—O3	73.87 (8)	Rb2—Fe2—Rb2^xxii	60.0
O3^iii—Rb2—O3	73.87 (7)	O1^vii—Fe2—Rb2^xxiii	146.11 (6)
O3^v—Rb2—O1^vi	80.68 (5)	O1^xiv—Fe2—Rb2^xxiii	58.77 (7)
O3^iii—Rb2—O1^vi	152.52 (6)	O1^xix—Fe2—Rb2^xxiii	70.91 (7)
O3—Rb2—O1^vi	89.39 (6)	O1^v—Fe2—Rb2^xxiii	33.90 (6)
O3^v—Rb2—O1^vii	89.39 (6)	O1^xviii—Fe2—Rb2^xxiii	121.23 (7)
O3^iii—Rb2—O1^vii	80.68 (6)	O1^xvii—Fe2—Rb2^xxiii	109.09 (7)
O3—Rb2—O1^vii	152.52 (6)	Rb2^xix—Fe2—Rb2^xxiii	120.0
O1^vi—Rb2—O1^vii	109.62 (3)	Rb2^xvii—Fe2—Rb2^xxiii	60.0
O3^v—Rb2—O1^viii	152.52 (6)	Rb2^xvi—Fe2—Rb2^xxiii	60.0
O3^iii—Rb2—O1^viii	89.39 (6)	Rb2—Fe2—Rb2^xxiii	180.0
O3—Rb2—O1^viii	80.68 (6)	Rb2^xxii—Fe2—Rb2^xxiii	120.0
O1^vi—Rb2—O1^viii	109.62 (3)	O1^xx—As—O2	117.84 (10)
O1^vii—Rb2—O1^viii	109.62 (3)	O1^xx—As—O4^ii	107.24 (10)
O3^v—Rb2—O4^ix	113.60 (6)	O2—As—O4^ii	114.38 (9)
O3^iii—Rb2—O4^ix	158.54 (6)	O1^xx—As—O3	106.07 (11)
O3—Rb2—O4^ix	127.10 (5)	O2—As—O3	104.17 (10)
O1^vi—Rb2—O4^ix	45.34 (4)	O4^ii—As—O3	106.18 (9)
O1^vii—Rb2—O4^ix	79.36 (4)	O1^xx—As—Rb2^xii	63.12 (7)
O1^viii—Rb2—O4^ix	89.94 (5)	O2—As—Rb2^xii	175.24 (7)
O3^v—Rb2—O4^x	158.54 (5)	O4^ii—As—Rb2^xii	68.86 (6)
O3^iii—Rb2—O4^x	127.10 (5)	O3—As—Rb2^xii	71.28 (8)
O3—Rb2—O4^x	113.60 (6)	O1^xx—As—Rb1	140.53 (9)
O1^vi—Rb2—O4^x	79.36 (4)	O2—As—Rb1	57.00 (6)
O1^vii—Rb2—O4^x	89.94 (5)	O4^ii—As—Rb1	109.61 (6)
O1^viii—Rb2—O4^x	45.34 (4)	O3—As—Rb1	49.92 (8)
O4^ix—Rb2—O4^x	45.37 (5)	Rb2^xii—As—Rb1	119.004 (8)
O3^v—Rb2—O4^xi	127.10 (6)	O1^xx—As—Rb2	77.51 (9)
O3^iii—Rb2—O4^xi	113.60 (6)	O2—As—Rb2	101.13 (6)
O3—Rb2—O4^xi	158.54 (6)	O4^ii—As—Rb2	134.56 (6)
O1^vi—Rb2—O4^xi	89.94 (5)	O3—As—Rb2	34.74 (7)
O1^vii—Rb2—O4^xi	45.34 (5)	Rb2^xii—As—Rb2	74.367 (9)
O1^viii—Rb2—O4^xi	79.36 (4)	Rb1—As—Rb2	66.765 (14)
O4^ix—Rb2—O4^xi	45.37 (5)	O1^xx—As—Rb2^xxiv	46.08 (8)
O4^x—Rb2—O4^xi	45.37 (5)	O2—As—Rb2^xxiv	125.75 (7)
O3^v—Rb2—O3^xii	122.48 (7)	O4^ii—As—Rb2^xxiv	63.02 (6)
O3^iii—Rb2—O3^xii	149.37 (7)	O3—As—Rb2^xxiv	129.40 (8)
O3—Rb2—O3^xii	85.69 (6)	Rb2^xii—As—Rb2^xxiv	58.581 (6)
O1^vi—Rb2—O3^xii	45.24 (5)	Rb1—As—Rb2^xxiv	172.574 (7)
O1^vii—Rb2—O3^xii	121.79 (5)	Rb2—As—Rb2^xxiv	117.235 (17)
O1^viii—Rb2—O3^xii	64.52 (5)	As^xxv—O1—Fe2^xxvi	140.90 (12)
O4^ix—Rb2—O3^xii	44.65 (4)	As^xxv—O1—Rb2^vi	91.09 (8)
O4^x—Rb2—O3^xii	42.56 (5)	Fe2^xxvi—O1—Rb2^vi	126.94 (8)
O4^xi—Rb2—O3^xii	78.68 (5)	As^xxv—O1—Rb2^xxv	79.81 (8)
O3^v—Rb2—O3^xiii	85.69 (6)	Fe2^xxvi—O1—Rb2^xxv	97.18 (8)
O3^iii—Rb2—O3^xiii	122.48 (8)	Rb2^vi—O1—Rb2^xxv	79.01 (4)
O3—Rb2—O3^xiii	149.38 (7)	As^xxv—O1—Rb2^xxvi	118.94 (9)
O1^vi—Rb2—O3^xiii	64.52 (5)	Fe2^xxvi—O1—Rb2^xxvi	84.94 (7)
O1^vii—Rb2—O3^xiii	45.24 (5)	Rb2^vi—O1—Rb2^xxvi	73.02 (4)
O1^viii—Rb2—O3^xiii	121.79 (5)	Rb2^xxv—O1—Rb2^xxvi	146.08 (5)
O4^ix—Rb2—O3^xiii	42.56 (5)	As—O2—Fe1^xxiv	122.52 (10)
O4^x—Rb2—O3^xiii	78.68 (5)	As—O2—Rb1	98.39 (7)
O4^xi—Rb2—O3^xiii	44.65 (4)	Fe1^xxiv—O2—Rb1	128.56 (7)
O3^xii—Rb2—O3^xiii	86.44 (5)	As—O2—Rb2	59.04 (5)
O3^v—Rb2—O3^xiv	149.37 (7)	Fe1^xxiv—O2—Rb2	163.04 (7)
O3^iii—Rb2—O3^xiv	85.69 (6)	Rb1—O2—Rb2	63.89 (3)
O3—Rb2—O3^xiv	122.48 (8)	As—O3—Rb2	125.70 (10)
O1^vi—Rb2—O3^xiv	121.79 (5)	As—O3—Rb1	105.01 (9)
O1^vii—Rb2—O3^xiv	64.52 (5)	Rb2—O3—Rb1	95.22 (6)
O1^viii—Rb2—O3^xiv	45.24 (5)	As—O3—Rb2^xii	81.77 (8)
O4^ix—Rb2—O3^xiv	78.68 (5)	Rb2—O3—Rb2^xii	94.31 (6)
O4^x—Rb2—O3^xiv	44.65 (4)	Rb1—O3—Rb2^xii	161.69 (7)
O4^xi—Rb2—O3^xiv	42.56 (4)	As—O3—H	107 (3)
O3^xii—Rb2—O3^xiv	86.44 (5)	Rb2—O3—H	122 (3)
O3^xiii—Rb2—O3^xiv	86.44 (5)	Rb1—O3—H	92 (3)
O3^v—Rb2—As^xii	105.92 (5)	Rb2^xii—O3—H	69 (3)
O3^iii—Rb2—As^xii	175.05 (5)	As^ii—O4—Fe1^xxvi	129.96 (10)
O3—Rb2—As^xii	101.27 (5)	As^ii—O4—Rb2^xxvii	85.04 (7)
O1^vi—Rb2—As^xii	25.79 (3)	Fe1^xxvi—O4—Rb2^xxvii	101.28 (7)
O1^vii—Rb2—As^xii	104.27 (4)	As^ii—O4—Rb2^xxviii	99.80 (7)
O1^viii—Rb2—As^xii	88.88 (4)	Fe1^xxvi—O4—Rb2^xxviii	128.35 (7)
O4^ix—Rb2—As^xii	26.10 (3)	Rb2^xxvii—O4—Rb2^xxviii	65.94 (3)
O4^x—Rb2—As^xii	53.64 (3)

Symmetry codes: (i) x−y, −y, −z+3/2; (ii) −x, −x+y, −z+3/2; (iii) −x+y, −x, z; (iv) y, x, −z+3/2; (v) −y, x−y, z; (vi) −x+2/3, −y−2/3, −z+4/3; (vii) y+2/3, −x+y+4/3, −z+4/3; (viii) x−y−4/3, x−2/3, −z+4/3; (ix) x−1/3, x−y−2/3, z−1/6; (x) −y−1/3, −x+1/3, z−1/6; (xi) −x+y+2/3, y+1/3, z−1/6; (xii) −x−1/3, −y−2/3, −z+4/3; (xiii) y+2/3, −x+y+1/3, −z+4/3; (xiv) x−y−1/3, x+1/3, −z+4/3; (xv) −y, x−y+1, z; (xvi) x+1, y+1, z; (xvii) x, y+1, z; (xviii) −x+y+1, −x+1, z; (xix) −x+2/3, −y+1/3, −z+4/3; (xx) x−1, y, z; (xxi) −y+1/3, −x+2/3, z+1/6; (xxii) −x−1/3, −y+1/3, −z+4/3; (xxiii) −x+2/3, −y+4/3, −z+4/3; (xxiv) x−1, y−1, z; (xxv) x+1, y, z; (xxvi) x, y−1, z; (xxvii) −y+1/3, −x−1/3, z+1/6; (xxviii) y+1, x, −z+3/2.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H···O4^xxix	0.81 (3)	1.82 (3)	2.615 (3)	166 (4)

Symmetry code: (xxix) y, x−1, −z+3/2.

Thallium iron bis[hydrogen arsenate(V)] (TlFeHAsO42)

Crystal data

TlFe(HAsO4)2	Z = 3
Mr = 540.08	F(000) = 717
Triclinic, P1	Dx = 4.995 Mg m^−3
a = 7.346 (2) Å	Mo Kα radiation, λ = 0.71073 Å
b = 9.148 (2) Å	Cell parameters from 3867 reflections
c = 9.662 (2) Å	θ = 2.5–32.6°
α = 64.89 (3)°	µ = 33.58 mm^−1
β = 70.51 (3)°	T = 293 K
γ = 69.94 (3)°	Short prismatic, colourless with red inclusions
V = 538.6 (3) Å^3	0.10 × 0.05 × 0.04 mm

Data collection

Nonius KappaCCD single-crystal four-circle diffractometer	3391 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.021
φ and ω scans	θmax = 32.6°, θmin = 2.5°
Absorption correction: multi-scan (HKL SCALEPACK; Otwinowski et al., 2003)	h = −11→11
Tmin = 0.134, Tmax = 0.347	k = −13→13
7723 measured reflections	l = −14→14
3906 independent reflections

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.022	Only H-atom displacement parameters refined
wR(F^2) = 0.051	w = 1/[σ^2(Fo^2) + (0.0193P)^2 + 0.8062P] where P = (Fo^2 + 2Fc^2)/3
S = 1.06	(Δ/σ)max = 0.005
3906 reflections	Δρmax = 0.96 e Å^−3
208 parameters	Δρmin = −1.13 e Å^−3
4 restraints	Extinction correction: SHELXL2016 (Sheldrick, 2015), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0068 (2)

Special details

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Tl1A	0.500000	1.000000	0.000000	0.0401 (16)	0.631 (3)
Tl1B	0.4695 (15)	0.9990 (11)	−0.0176 (13)	0.0299 (8)	0.1843 (14)
Tl2A	0.4052 (7)	0.8325 (4)	0.4667 (4)	0.0319 (6)	0.449 (3)
Tl2B	0.3531 (3)	0.8270 (4)	0.4840 (4)	0.0376 (3)	0.437 (3)
Tl2C	0.402 (3)	0.8510 (16)	0.4841 (15)	0.0286 (13)	0.114 (3)
Fe1	0.000000	0.500000	0.500000	0.00759 (10)
Fe2	0.20590 (6)	0.72309 (5)	−0.05912 (5)	0.00754 (8)
As1	0.45203 (4)	0.56033 (3)	0.21662 (3)	0.00716 (6)
As2	−0.07841 (4)	0.87435 (3)	0.23460 (3)	0.00748 (6)
As3	0.09158 (4)	0.35105 (3)	0.21621 (3)	0.00721 (6)
O1	0.4101 (3)	0.7015 (2)	0.0441 (2)	0.0106 (4)
O2	0.5906 (4)	0.6397 (3)	0.2680 (3)	0.0194 (5)
O3	0.5713 (3)	0.3653 (2)	0.2221 (2)	0.0107 (4)
O4	0.2440 (3)	0.5521 (3)	0.3531 (3)	0.0190 (5)
O5	−0.0194 (3)	0.8151 (3)	0.0805 (2)	0.0130 (4)
O6	−0.1590 (3)	0.7306 (2)	0.4022 (2)	0.0118 (4)
O7	−0.2594 (3)	1.0506 (2)	0.2095 (2)	0.0108 (4)
O8	0.1223 (3)	0.9190 (3)	0.2530 (3)	0.0173 (4)
O9	−0.0703 (3)	0.4281 (3)	0.3527 (2)	0.0132 (4)
O10	−0.0155 (3)	0.2336 (2)	0.1890 (2)	0.0114 (4)
O11	0.1828 (3)	0.4911 (3)	0.0534 (2)	0.0135 (4)
O12	0.2880 (3)	0.2007 (3)	0.2888 (3)	0.0159 (4)
H2	0.694 (6)	0.570 (5)	0.295 (5)	0.033 (13)*
H8	0.073100	1.037300	0.239694	0.08 (2)*
H12	0.376 (7)	0.259 (6)	0.258 (6)	0.042 (14)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Tl1A	0.060 (2)	0.0347 (7)	0.0312 (14)	−0.0317 (10)	−0.0034 (15)	−0.0060 (7)
Tl1B	0.0417 (9)	0.0227 (11)	0.0314 (14)	−0.0187 (13)	−0.0130 (8)	−0.0028 (9)
Tl2A	0.0396 (9)	0.0272 (9)	0.0211 (6)	0.0020 (7)	−0.0087 (6)	−0.0076 (4)
Tl2B	0.0433 (6)	0.0345 (5)	0.0234 (5)	−0.0040 (6)	−0.0136 (6)	0.0012 (3)
Tl2C	0.041 (4)	0.0191 (16)	0.019 (2)	0.0010 (14)	−0.010 (2)	−0.0056 (12)
Fe1	0.0087 (2)	0.0058 (2)	0.0072 (2)	−0.00065 (19)	−0.00228 (18)	−0.00170 (19)
Fe2	0.00853 (17)	0.00551 (16)	0.00764 (17)	−0.00077 (13)	−0.00218 (13)	−0.00183 (13)
As1	0.00724 (12)	0.00543 (12)	0.00788 (13)	−0.00077 (9)	−0.00187 (9)	−0.00189 (9)
As2	0.00859 (12)	0.00441 (12)	0.00832 (13)	−0.00028 (9)	−0.00242 (9)	−0.00177 (9)
As3	0.00828 (12)	0.00481 (12)	0.00847 (13)	−0.00135 (9)	−0.00238 (9)	−0.00200 (9)
O1	0.0117 (9)	0.0089 (9)	0.0088 (9)	−0.0023 (7)	−0.0047 (7)	0.0008 (7)
O2	0.0203 (11)	0.0144 (10)	0.0324 (13)	0.0006 (9)	−0.0162 (10)	−0.0123 (10)
O3	0.0101 (9)	0.0061 (8)	0.0130 (10)	0.0016 (7)	−0.0023 (7)	−0.0035 (7)
O4	0.0163 (10)	0.0165 (11)	0.0156 (11)	−0.0045 (9)	0.0068 (8)	−0.0051 (9)
O5	0.0140 (9)	0.0130 (10)	0.0124 (10)	−0.0009 (8)	−0.0019 (7)	−0.0074 (8)
O6	0.0138 (9)	0.0056 (8)	0.0092 (9)	−0.0004 (7)	−0.0024 (7)	0.0019 (7)
O7	0.0096 (9)	0.0060 (8)	0.0147 (10)	0.0008 (7)	−0.0038 (7)	−0.0028 (7)
O8	0.0149 (10)	0.0108 (10)	0.0307 (13)	−0.0015 (8)	−0.0125 (9)	−0.0070 (9)
O9	0.0114 (9)	0.0159 (10)	0.0132 (10)	0.0013 (8)	−0.0028 (7)	−0.0093 (8)
O10	0.0146 (9)	0.0081 (9)	0.0161 (10)	−0.0041 (7)	−0.0080 (8)	−0.0039 (8)
O11	0.0149 (10)	0.0080 (9)	0.0127 (10)	−0.0039 (8)	−0.0004 (7)	−0.0003 (8)
O12	0.0121 (10)	0.0119 (10)	0.0212 (11)	−0.0006 (8)	−0.0083 (8)	−0.0017 (9)

Geometric parameters (Å, º)

Tl1A—Tl1B^i	0.327 (15)	Tl2B—O6^iii	3.283 (3)
Tl1A—O1	2.853 (2)	Tl2B—O7^vii	3.380 (6)
Tl1A—O1^i	2.853 (2)	Tl2B—O4	3.650 (6)
Tl1A—O8^i	3.094 (3)	Tl2B—As1^vi	3.682 (3)
Tl1A—O8	3.094 (3)	Tl2B—O7^iii	3.698 (3)
Tl1A—O2	3.227 (3)	Tl2B—O4^vi	3.833 (4)
Tl1A—O2^i	3.227 (3)	Tl2B—O12^vi	3.843 (4)
Tl1A—O7^ii	3.344 (2)	Tl2B—O2^vi	3.861 (4)
Tl1A—O7^iii	3.344 (2)	Tl2B—As3^viii	3.879 (2)
Tl1A—O5^ii	3.543 (2)	Tl2C—O3^vi	2.711 (13)
Tl1A—O5^iii	3.543 (2)	Tl2C—O12^v	2.931 (13)
Tl1A—O12^iv	3.615 (3)	Tl2C—O6^iii	2.970 (18)
Tl1A—O12^v	3.615 (3)	Tl2C—O2	3.111 (12)
Tl1A—As1^i	3.7440 (14)	Tl2C—O7^vii	3.197 (12)
Tl1A—As1	3.7440 (14)	Tl2C—O8	3.258 (14)
Tl1B—Tl1B^i	0.65 (3)	Tl2C—O7^iii	3.339 (17)
Tl1B—O1	2.687 (12)	Tl2C—O12^vi	3.454 (14)
Tl1B—O8	3.014 (10)	Tl2C—O10^viii	3.478 (17)
Tl1B—O7^ii	3.022 (15)	Tl2C—O9^viii	3.640 (16)
Tl1B—O1^i	3.045 (14)	Tl2C—Tl2C^ix	3.64 (3)
Tl1B—O2^i	3.146 (8)	Tl2C—As1^vi	3.706 (13)
Tl1B—O8^i	3.205 (11)	Tl2C—O4^vi	3.749 (14)
Tl1B—O5^ii	3.286 (10)	Tl2C—As2^iii	3.794 (18)
Tl1B—O2	3.338 (8)	Fe1—O4^viii	1.942 (2)
Tl1B—O12^iv	3.477 (12)	Fe1—O4	1.942 (2)
Tl1B—O7^iii	3.666 (15)	Fe1—O6^viii	2.015 (2)
Tl1B—As2^ii	3.697 (13)	Fe1—O6	2.015 (2)
Tl1B—As1	3.701 (9)	Fe1—O9	2.060 (2)
Tl1B—O12^v	3.775 (13)	Fe1—O9^viii	2.060 (2)
Tl1B—O5^iii	3.810 (11)	Fe2—O5	1.946 (2)
Tl2A—O3^vi	2.804 (4)	Fe2—O11	1.970 (2)
Tl2A—O2	2.852 (4)	Fe2—O1	1.978 (2)
Tl2A—O6^iii	2.936 (5)	Fe2—O10^x	2.014 (2)
Tl2A—O12^v	3.020 (4)	Fe2—O7^ii	2.044 (2)
Tl2A—O8	3.091 (5)	Fe2—O3^iv	2.065 (2)
Tl2A—O7^iii	3.362 (5)	As1—O4	1.652 (2)
Tl2A—O7^vii	3.450 (4)	As1—O1	1.668 (2)
Tl2A—O9^viii	3.523 (5)	As1—O3	1.683 (2)
Tl2A—O10^viii	3.572 (5)	As1—O2	1.720 (2)
Tl2A—O12^vi	3.638 (5)	As2—O6	1.670 (2)
Tl2A—As1^vi	3.688 (4)	As2—O5	1.671 (2)
Tl2A—O4^vi	3.691 (4)	As2—O7	1.684 (2)
Tl2A—As2^iii	3.763 (5)	As2—O8	1.738 (2)
Tl2A—O4	3.811 (5)	As3—O11	1.655 (2)
Tl2B—O3^vi	2.758 (4)	As3—O10	1.6730 (19)
Tl2B—O8	2.919 (4)	As3—O9	1.679 (2)
Tl2B—O2	2.982 (6)	As3—O12	1.721 (2)
Tl2B—O12^v	3.079 (4)	O2—H2	0.85 (3)
Tl2B—O9^viii	3.204 (4)	O8—H8	0.982 (2)
Tl2B—O10^viii	3.266 (4)	O12—H12	0.88 (3)
Tl1B^i—Tl1A—O1	123.3 (15)	O5—As2—Tl1B	76.3 (2)
Tl1B^i—Tl1A—O1^i	56.7 (15)	O7—As2—Tl1B	108.47 (12)
O1—Tl1A—O1^i	180.0	O8—As2—Tl1B	37.3 (2)
Tl1B^i—Tl1A—O8^i	72.9 (17)	Tl1B^ii—As2—Tl1B	118.22 (18)
O1—Tl1A—O8^i	115.26 (7)	Tl2A^xi—As2—Tl1B	170.49 (16)
O1^i—Tl1A—O8^i	64.74 (7)	Tl2C^xi—As2—Tl1B	166.8 (2)
Tl1B^i—Tl1A—O8	107.1 (17)	Tl1A^xi—As2—Tl1B	118.58 (16)
O1—Tl1A—O8	64.74 (7)	Tl2C^vii—As2—Tl1B	112.2 (3)
O1^i—Tl1A—O8	115.26 (7)	Tl2B^xi—As2—Tl1B	170.96 (15)
O8^i—Tl1A—O8	180.0	O6—As2—Tl2B^vii	81.06 (8)
Tl1B^i—Tl1A—O2	72.8 (15)	O5—As2—Tl2B^vii	158.98 (8)
O1—Tl1A—O2	51.62 (6)	O7—As2—Tl2B^vii	49.63 (8)
O1^i—Tl1A—O2	128.38 (6)	O8—As2—Tl2B^vii	77.26 (9)
O8^i—Tl1A—O2	112.41 (7)	Tl1B^ii—As2—Tl2B^vii	99.31 (18)
O8—Tl1A—O2	67.59 (7)	Tl2A^xi—As2—Tl2B^vii	65.34 (6)
Tl1B^i—Tl1A—O2^i	107.2 (15)	Tl2C^xi—As2—Tl2B^vii	61.21 (17)
O1—Tl1A—O2^i	128.39 (6)	Tl1A^xi—As2—Tl2B^vii	100.41 (4)
O1^i—Tl1A—O2^i	51.61 (6)	Tl2C^vii—As2—Tl2B^vii	6.4 (2)
O8^i—Tl1A—O2^i	67.59 (7)	Tl2B^xi—As2—Tl2B^vii	66.09 (10)
O8—Tl1A—O2^i	112.41 (7)	Tl1B—As2—Tl2B^vii	105.92 (19)
O2—Tl1A—O2^i	180.0	O11—As3—O10	114.60 (11)
Tl1B^i—Tl1A—O7^ii	169.8 (17)	O11—As3—O9	114.77 (11)
O1—Tl1A—O7^ii	52.66 (6)	O10—As3—O9	107.46 (11)
O1^i—Tl1A—O7^ii	127.34 (6)	O11—As3—O12	108.03 (11)
O8^i—Tl1A—O7^ii	99.91 (6)	O10—As3—O12	99.57 (10)
O8—Tl1A—O7^ii	80.09 (6)	O9—As3—O12	111.41 (11)
O2—Tl1A—O7^ii	104.24 (6)	O11—As3—Tl2B^viii	151.04 (8)
O2^i—Tl1A—O7^ii	75.76 (6)	O10—As3—Tl2B^viii	56.44 (11)
Tl1B^i—Tl1A—O7^iii	10.2 (17)	O9—As3—Tl2B^viii	54.30 (11)
O1—Tl1A—O7^iii	127.34 (6)	O12—As3—Tl2B^viii	100.81 (9)
O1^i—Tl1A—O7^iii	52.66 (6)	O11—As3—Tl2A^viii	149.26 (9)
O8^i—Tl1A—O7^iii	80.09 (6)	O10—As3—Tl2A^viii	55.87 (9)
O8—Tl1A—O7^iii	99.91 (6)	O9—As3—Tl2A^viii	54.20 (9)
O2—Tl1A—O7^iii	75.76 (6)	O12—As3—Tl2A^viii	102.56 (9)
O2^i—Tl1A—O7^iii	104.24 (6)	Tl2B^viii—As3—Tl2A^viii	1.80 (6)
O7^ii—Tl1A—O7^iii	180.0	O11—As3—Tl2C^viii	148.9 (2)
Tl1B^i—Tl1A—O5^ii	143.2 (16)	O10—As3—Tl2C^viii	52.14 (17)
O1—Tl1A—O5^ii	83.29 (6)	O9—As3—Tl2C^viii	57.83 (17)
O1^i—Tl1A—O5^ii	96.71 (6)	O12—As3—Tl2C^viii	102.3 (2)
O8^i—Tl1A—O5^ii	121.76 (6)	Tl2B^viii—As3—Tl2C^viii	4.5 (2)
O8—Tl1A—O5^ii	58.24 (6)	Tl2A^viii—As3—Tl2C^viii	3.75 (14)
O2—Tl1A—O5^ii	120.71 (6)	O11—As3—Tl1B^iv	84.07 (15)
O2^i—Tl1A—O5^ii	59.29 (6)	O10—As3—Tl1B^iv	69.2 (2)
O7^ii—Tl1A—O5^ii	46.78 (5)	O9—As3—Tl1B^iv	159.27 (14)
O7^iii—Tl1A—O5^ii	133.22 (5)	O12—As3—Tl1B^iv	51.33 (18)
Tl1B^i—Tl1A—O5^iii	36.8 (16)	Tl2B^viii—As3—Tl1B^iv	113.00 (17)
O1—Tl1A—O5^iii	96.71 (6)	Tl2A^viii—As3—Tl1B^iv	113.69 (16)
O1^i—Tl1A—O5^iii	83.29 (6)	Tl2C^viii—As3—Tl1B^iv	110.6 (2)
O8^i—Tl1A—O5^iii	58.24 (6)	O11—As3—Tl1A^xiii	84.12 (8)
O8—Tl1A—O5^iii	121.76 (6)	O10—As3—Tl1A^xiii	65.45 (7)
O2—Tl1A—O5^iii	59.29 (6)	O9—As3—Tl1A^xiii	160.59 (8)
O2^i—Tl1A—O5^iii	120.71 (6)	O12—As3—Tl1A^xiii	55.16 (8)
O7^ii—Tl1A—O5^iii	133.22 (5)	Tl2B^viii—As3—Tl1A^xiii	111.13 (8)
O7^iii—Tl1A—O5^iii	46.78 (5)	Tl2A^viii—As3—Tl1A^xiii	111.69 (6)
O5^ii—Tl1A—O5^iii	180.00 (3)	Tl2C^viii—As3—Tl1A^xiii	108.43 (16)
Tl1B^i—Tl1A—O12^iv	117.2 (17)	Tl1B^iv—As3—Tl1A^xiii	4.35 (19)
O1—Tl1A—O12^iv	57.83 (6)	O11—As3—Tl1B^xiii	84.20 (14)
O1^i—Tl1A—O12^iv	122.17 (6)	O10—As3—Tl1B^xiii	61.76 (19)
O8^i—Tl1A—O12^iv	59.93 (6)	O9—As3—Tl1B^xiii	161.02 (14)
O8—Tl1A—O12^iv	120.07 (6)	O12—As3—Tl1B^xiii	58.96 (17)
O2—Tl1A—O12^iv	88.55 (6)	Tl2B^viii—As3—Tl1B^xiii	109.19 (17)
O2^i—Tl1A—O12^iv	91.45 (6)	Tl2A^viii—As3—Tl1B^xiii	109.63 (16)
O7^ii—Tl1A—O12^iv	52.68 (5)	Tl2C^viii—As3—Tl1B^xiii	106.3 (2)
O7^iii—Tl1A—O12^iv	127.32 (5)	Tl1B^iv—As3—Tl1B^xiii	8.6 (4)
O5^ii—Tl1A—O12^iv	98.17 (5)	Tl1A^xiii—As3—Tl1B^xiii	4.27 (18)
O5^iii—Tl1A—O12^iv	81.83 (5)	O11—As3—Tl2C^xiii	129.0 (2)
Tl1B^i—Tl1A—O12^v	62.8 (17)	O10—As3—Tl2C^xiii	80.0 (2)
O1—Tl1A—O12^v	122.17 (6)	O9—As3—Tl2C^xiii	104.96 (19)
O1^i—Tl1A—O12^v	57.83 (6)	O12—As3—Tl2C^xiii	23.7 (2)
O8^i—Tl1A—O12^v	120.07 (6)	Tl2B^viii—As3—Tl2C^xiii	78.9 (2)
O8—Tl1A—O12^v	59.93 (6)	Tl2A^viii—As3—Tl2C^xiii	80.5 (2)
O2—Tl1A—O12^v	91.45 (6)	Tl2C^viii—As3—Tl2C^xiii	79.8 (4)
O2^i—Tl1A—O12^v	88.55 (6)	Tl1B^iv—As3—Tl2C^xiii	54.5 (2)
O7^ii—Tl1A—O12^v	127.32 (5)	Tl1A^xiii—As3—Tl2C^xiii	56.81 (16)
O7^iii—Tl1A—O12^v	52.68 (5)	Tl1B^xiii—As3—Tl2C^xiii	59.2 (2)
O5^ii—Tl1A—O12^v	81.83 (5)	O11—As3—Tl2B^xiii	132.75 (8)
O5^iii—Tl1A—O12^v	98.17 (5)	O10—As3—Tl2B^xiii	74.02 (9)
O12^iv—Tl1A—O12^v	180.00 (6)	O9—As3—Tl2B^xiii	104.89 (10)
Tl1B^i—Tl1A—As1^i	79.9 (15)	O12—As3—Tl2B^xiii	29.66 (8)
O1—Tl1A—As1^i	155.08 (4)	Tl2B^viii—As3—Tl2B^xiii	74.28 (6)
O1^i—Tl1A—As1^i	24.92 (4)	Tl2A^viii—As3—Tl2B^xiii	75.87 (6)
O8^i—Tl1A—As1^i	59.16 (5)	Tl2C^viii—As3—Tl2B^xiii	74.87 (19)
O8—Tl1A—As1^i	120.84 (5)	Tl1B^iv—As3—Tl2B^xiii	54.38 (13)
O2—Tl1A—As1^i	152.70 (4)	Tl1A^xiii—As3—Tl2B^xiii	56.21 (6)
O2^i—Tl1A—As1^i	27.30 (4)	Tl1B^xiii—As3—Tl2B^xiii	58.18 (13)
O7^ii—Tl1A—As1^i	102.87 (4)	Tl2C^xiii—As3—Tl2B^xiii	6.2 (2)
O7^iii—Tl1A—As1^i	77.13 (4)	As1—O1—Fe2	126.13 (11)
O5^ii—Tl1A—As1^i	81.04 (5)	As1—O1—Tl1B	114.3 (3)
O5^iii—Tl1A—As1^i	98.96 (5)	Fe2—O1—Tl1B	111.4 (3)
O12^iv—Tl1A—As1^i	105.49 (5)	As1—O1—Tl1A	108.97 (9)
O12^v—Tl1A—As1^i	74.51 (5)	Fe2—O1—Tl1A	117.26 (9)
Tl1B^i—Tl1A—As1	100.1 (15)	Tl1B—O1—Tl1A	5.8 (2)
O1—Tl1A—As1	24.92 (4)	As1—O1—Tl1B^i	104.2 (2)
O1^i—Tl1A—As1	155.08 (4)	Fe2—O1—Tl1B^i	122.4 (2)
O8^i—Tl1A—As1	120.84 (5)	Tl1B—O1—Tl1B^i	11.0 (4)
O8—Tl1A—As1	59.16 (5)	Tl1A—O1—Tl1B^i	5.16 (19)
O2—Tl1A—As1	27.30 (4)	As1—O1—Tl2A	55.90 (7)
O2^i—Tl1A—As1	152.70 (4)	Fe2—O1—Tl2A	135.14 (10)
O7^ii—Tl1A—As1	77.13 (4)	Tl1B—O1—Tl2A	61.8 (3)
O7^iii—Tl1A—As1	102.87 (4)	Tl1A—O1—Tl2A	57.72 (6)
O5^ii—Tl1A—As1	98.96 (5)	Tl1B^i—O1—Tl2A	54.3 (2)
O5^iii—Tl1A—As1	81.04 (5)	As1—O1—Tl2B	55.35 (7)
O12^iv—Tl1A—As1	74.51 (5)	Fe2—O1—Tl2B	131.07 (8)
O12^v—Tl1A—As1	105.49 (5)	Tl1B—O1—Tl2B	64.2 (3)
As1^i—Tl1A—As1	180.0	Tl1A—O1—Tl2B	60.43 (5)
Tl1B^i—Tl1B—O1	117.4 (14)	Tl1B^i—O1—Tl2B	57.3 (2)
Tl1B^i—Tl1B—O8	101.1 (18)	Tl2A—O1—Tl2B	4.56 (6)
O1—Tl1B—O8	67.8 (3)	As1—O1—Tl2C	56.97 (16)
Tl1B^i—Tl1B—O7^ii	168.7 (18)	Fe2—O1—Tl2C	134.8 (2)
O1—Tl1B—O7^ii	58.0 (3)	Tl1B—O1—Tl2C	60.8 (3)
O8—Tl1B—O7^ii	86.8 (3)	Tl1A—O1—Tl2C	56.75 (17)
Tl1B^i—Tl1B—O1^i	51.6 (15)	Tl1B^i—O1—Tl2C	53.4 (3)
O1—Tl1B—O1^i	169.0 (4)	Tl2A—O1—Tl2C	1.07 (18)
O8—Tl1B—O1^i	112.0 (4)	Tl2B—O1—Tl2C	4.9 (2)
O7^ii—Tl1B—O1^i	132.7 (3)	As1—O1—Tl2C^xii	150.86 (17)
Tl1B^i—Tl1B—O2^i	101.5 (16)	Fe2—O1—Tl2C^xii	47.1 (2)
O1—Tl1B—O2^i	139.6 (5)	Tl1B—O1—Tl2C^xii	91.3 (3)
O8—Tl1B—O2^i	117.0 (2)	Tl1A—O1—Tl2C^xii	95.80 (16)
O7^ii—Tl1B—O2^i	81.7 (3)	Tl1B^i—O1—Tl2C^xii	99.8 (3)
O1^i—Tl1B—O2^i	51.03 (17)	Tl2A—O1—Tl2C^xii	152.55 (13)
Tl1B^i—Tl1B—O8^i	67.3 (17)	Tl2B—O1—Tl2C^xii	153.67 (13)
O1—Tl1B—O8^i	116.7 (3)	Tl2C—O1—Tl2C^xii	151.5 (3)
O8—Tl1B—O8^i	168.4 (5)	As1—O1—Tl2A^i	151.74 (10)
O7^ii—Tl1B—O8^i	104.7 (4)	Fe2—O1—Tl2A^i	81.86 (8)
O1^i—Tl1B—O8^i	61.3 (2)	Tl1B—O1—Tl2A^i	47.4 (3)
O2^i—Tl1B—O8^i	67.3 (2)	Tl1A—O1—Tl2A^i	51.24 (6)
Tl1B^i—Tl1B—O5^ii	139.8 (18)	Tl1B^i—O1—Tl2A^i	54.8 (2)
O1—Tl1B—O5^ii	91.0 (4)	Tl2A—O1—Tl2A^i	108.96 (6)
O8—Tl1B—O5^ii	62.0 (2)	Tl2B—O1—Tl2A^i	111.56 (8)
O7^ii—Tl1B—O5^ii	51.3 (2)	Tl2C—O1—Tl2A^i	107.99 (18)
O1^i—Tl1B—O5^ii	98.6 (2)	Tl2C^xii—O1—Tl2A^i	45.12 (17)
O2^i—Tl1B—O5^ii	62.93 (16)	As1—O1—Tl2C^i	153.1 (2)
O8^i—Tl1B—O5^ii	126.7 (3)	Fe2—O1—Tl2C^i	80.01 (19)
Tl1B^i—Tl1B—O2	67.4 (14)	Tl1B—O1—Tl2C^i	50.5 (3)
O1—Tl1B—O2	51.18 (14)	Tl1A—O1—Tl2C^i	54.32 (13)
O8—Tl1B—O2	67.03 (19)	Tl1B^i—O1—Tl2C^i	57.9 (3)
O7^ii—Tl1B—O2	109.2 (4)	Tl2A—O1—Tl2C^i	112.04 (15)
O1^i—Tl1B—O2	118.1 (4)	Tl2B—O1—Tl2C^i	114.66 (15)
O2^i—Tl1B—O2	168.9 (5)	Tl2C—O1—Tl2C^i	111.07 (16)
O8^i—Tl1B—O2	106.8 (2)	Tl2C^xii—O1—Tl2C^i	42.2 (3)
O5^ii—Tl1B—O2	125.3 (3)	Tl2A^i—O1—Tl2C^i	3.11 (12)
Tl1B^i—Tl1B—O12^iv	112.4 (17)	As1—O2—Tl2A	120.80 (15)
O1—Tl1B—O12^iv	60.9 (3)	As1—O2—Tl2B	114.06 (13)
O8—Tl1B—O12^iv	127.2 (4)	Tl2A—O2—Tl2B	6.91 (12)
O7^ii—Tl1B—O12^iv	56.4 (2)	As1—O2—Tl2C	122.7 (3)
O1^i—Tl1B—O12^iv	120.7 (3)	Tl2A—O2—Tl2C	1.9 (4)
O2^i—Tl1B—O12^iv	95.5 (3)	Tl2B—O2—Tl2C	8.8 (3)
O8^i—Tl1B—O12^iv	60.63 (19)	As1—O2—Tl1B^i	99.0 (3)
O5^ii—Tl1B—O12^iv	106.2 (4)	Tl2A—O2—Tl1B^i	79.2 (2)
O2—Tl1B—O12^iv	89.1 (2)	Tl2B—O2—Tl1B^i	81.3 (2)
Tl1B^i—Tl1B—O7^iii	9.3 (16)	Tl2C—O2—Tl1B^i	79.2 (3)
O1—Tl1B—O7^iii	121.3 (3)	As1—O2—Tl1A	93.34 (9)
O8—Tl1B—O7^iii	94.6 (3)	Tl2A—O2—Tl1A	81.85 (9)
O7^ii—Tl1B—O7^iii	178.0 (3)	Tl2B—O2—Tl1A	83.31 (8)
O1^i—Tl1B—O7^iii	47.9 (2)	Tl2C—O2—Tl1A	81.9 (2)
O2^i—Tl1B—O7^iii	98.9 (4)	Tl1B^i—O2—Tl1A	5.7 (3)
O8^i—Tl1B—O7^iii	73.9 (3)	As1—O2—Tl1B	88.0 (3)
O5^ii—Tl1B—O7^iii	130.7 (3)	Tl2A—O2—Tl1B	84.3 (2)
O2—Tl1B—O7^iii	70.2 (2)	Tl2B—O2—Tl1B	85.2 (2)
O12^iv—Tl1B—O7^iii	121.6 (3)	Tl2C—O2—Tl1B	84.6 (3)
Tl1B^i—Tl1B—As2^ii	162.4 (16)	Tl1B^i—O2—Tl1B	11.1 (5)
O1—Tl1B—As2^ii	79.5 (4)	Tl1A—O2—Tl1B	5.4 (3)
O8—Tl1B—As2^ii	80.1 (3)	As1—O2—Tl2B^vi	71.06 (10)
O7^ii—Tl1B—As2^ii	26.69 (11)	Tl2A—O2—Tl2B^vi	109.95 (13)
O1^i—Tl1B—As2^ii	111.5 (2)	Tl2B—O2—Tl2B^vi	107.08 (11)
O2^i—Tl1B—As2^ii	63.25 (18)	Tl2C—O2—Tl2B^vi	110.3 (3)
O8^i—Tl1B—As2^ii	110.9 (3)	Tl1B^i—O2—Tl2B^vi	168.9 (3)
O5^ii—Tl1B—As2^ii	26.86 (11)	Tl1A—O2—Tl2B^vi	163.67 (10)
O2—Tl1B—As2^ii	127.7 (4)	Tl1B—O2—Tl2B^vi	158.5 (3)
O12^iv—Tl1B—As2^ii	79.4 (3)	As1—O2—Tl2A^vi	67.86 (10)
O7^iii—Tl1B—As2^ii	155.0 (3)	Tl2A—O2—Tl2A^vi	107.71 (11)
Tl1B^i—Tl1B—As1	95.1 (14)	Tl2B—O2—Tl2A^vi	104.32 (10)
O1—Tl1B—As1	24.26 (9)	Tl2C—O2—Tl2A^vi	108.2 (3)
O8—Tl1B—As1	60.26 (18)	Tl1B^i—O2—Tl2A^vi	166.9 (3)
O7^ii—Tl1B—As1	81.8 (3)	Tl1A—O2—Tl2A^vi	161.19 (9)
O1^i—Tl1B—As1	145.5 (4)	Tl1B—O2—Tl2A^vi	155.8 (3)
O2^i—Tl1B—As1	163.4 (5)	Tl2B^vi—O2—Tl2A^vi	5.22 (6)
O8^i—Tl1B—As1	119.0 (2)	As1—O2—Tl2C^vi	65.1 (2)
O5^ii—Tl1B—As1	104.8 (3)	Tl2A—O2—Tl2C^vi	111.0 (2)
O2—Tl1B—As1	27.68 (8)	Tl2B—O2—Tl2C^vi	107.5 (2)
O12^iv—Tl1B—As1	76.7 (2)	Tl2C—O2—Tl2C^vi	111.5 (2)
O7^iii—Tl1B—As1	97.7 (2)	Tl1B^i—O2—Tl2C^vi	163.8 (3)
As2^ii—Tl1B—As1	100.6 (3)	Tl1A—O2—Tl2C^vi	158.2 (2)
Tl1B^i—Tl1B—O12^v	58.4 (17)	Tl1B—O2—Tl2C^vi	152.9 (3)
O1—Tl1B—O12^v	121.9 (3)	Tl2B^vi—O2—Tl2C^vi	6.2 (2)
O8—Tl1B—O12^v	58.5 (2)	Tl2A^vi—O2—Tl2C^vi	3.62 (15)
O7^ii—Tl1B—O12^v	132.8 (3)	As1—O2—H2	113 (3)
O1^i—Tl1B—O12^v	54.7 (2)	Tl2A—O2—H2	111 (3)
O2^i—Tl1B—O12^v	87.0 (3)	Tl2B—O2—H2	114 (3)
O8^i—Tl1B—O12^v	112.6 (4)	Tl2C—O2—H2	109 (3)
O5^ii—Tl1B—O12^v	82.9 (2)	Tl1B^i—O2—H2	131 (3)
O2—Tl1B—O12^v	87.0 (3)	Tl1A—O2—H2	135 (3)
O12^iv—Tl1B—O12^v	170.8 (4)	Tl1B—O2—H2	139 (3)
O7^iii—Tl1B—O12^v	49.2 (2)	Tl2B^vi—O2—H2	52 (3)
As2^ii—Tl1B—O12^v	109.6 (2)	Tl2A^vi—O2—H2	58 (3)
As1—Tl1B—O12^v	103.2 (3)	Tl2C^vi—O2—H2	58 (3)
Tl1B^i—Tl1B—O5^iii	33.9 (14)	As1—O3—Fe2^iv	131.25 (12)
O1—Tl1B—O5^iii	93.69 (19)	As1—O3—Tl2C^vi	112.9 (3)
O8—Tl1B—O5^iii	116.0 (3)	Fe2^iv—O3—Tl2C^vi	110.1 (3)
O7^ii—Tl1B—O5^iii	135.1 (3)	As1—O3—Tl2B^vi	109.61 (14)
O1^i—Tl1B—O5^iii	76.4 (3)	Fe2^iv—O3—Tl2B^vi	108.65 (11)
O2^i—Tl1B—O5^iii	115.3 (3)	Tl2C^vi—O3—Tl2B^vi	10.1 (4)
O8^i—Tl1B—O5^iii	54.44 (17)	As1—O3—Tl2A^vi	107.96 (12)
O5^ii—Tl1B—O5^iii	173.6 (5)	Fe2^iv—O3—Tl2A^vi	113.66 (11)
O2—Tl1B—O5^iii	55.60 (15)	Tl2C^vi—O3—Tl2A^vi	5.4 (2)
O12^iv—Tl1B—O5^iii	79.93 (17)	Tl2B^vi—O3—Tl2A^vi	7.66 (10)
O7^iii—Tl1B—O5^iii	42.95 (15)	As1—O3—Tl1B^iv	135.47 (14)
As2^ii—Tl1B—O5^iii	159.0 (4)	Fe2^iv—O3—Tl1B^iv	55.10 (13)
As1—Tl1B—O5^iii	78.19 (14)	Tl2C^vi—O3—Tl1B^iv	98.4 (3)
O12^v—Tl1B—O5^iii	91.0 (3)	Tl2B^vi—O3—Tl1B^iv	106.05 (16)
O3^vi—Tl2A—O2	110.62 (13)	Tl2A^vi—O3—Tl1B^iv	103.81 (15)
O3^vi—Tl2A—O6^iii	84.49 (12)	As1—O3—Tl2C^xiii	134.1 (2)
O2—Tl2A—O6^iii	63.62 (10)	Fe2^iv—O3—Tl2C^xiii	91.18 (19)
O3^vi—Tl2A—O12^v	135.34 (15)	Tl2C^vi—O3—Tl2C^xiii	51.0 (4)
O2—Tl2A—O12^v	113.29 (14)	Tl2B^vi—O3—Tl2C^xiii	60.46 (16)
O6^iii—Tl2A—O12^v	107.85 (16)	Tl2A^vi—O3—Tl2C^xiii	55.88 (18)
O3^vi—Tl2A—O8	136.34 (18)	Tl1B^iv—O3—Tl2C^xiii	50.50 (18)
O2—Tl2A—O8	72.45 (11)	As1—O3—Tl2A^xiii	135.71 (10)
O6^iii—Tl2A—O8	129.21 (14)	Fe2^iv—O3—Tl2A^xiii	88.82 (8)
O12^v—Tl2A—O8	67.16 (10)	Tl2C^vi—O3—Tl2A^xiii	53.5 (3)
O3^vi—Tl2A—O7^iii	124.09 (17)	Tl2B^vi—O3—Tl2A^xiii	62.88 (9)
O2—Tl2A—O7^iii	80.54 (12)	Tl2A^vi—O3—Tl2A^xiii	58.48 (13)
O6^iii—Tl2A—O7^iii	50.58 (9)	Tl1B^iv—O3—Tl2A^xiii	47.62 (12)
O12^v—Tl2A—O7^iii	57.75 (9)	Tl2C^xiii—O3—Tl2A^xiii	2.89 (14)
O8—Tl2A—O7^iii	99.55 (11)	As1—O3—Tl1A^xiii	132.86 (9)
O3^vi—Tl2A—O7^vii	51.02 (8)	Fe2^iv—O3—Tl1A^xiii	56.68 (5)
O2—Tl2A—O7^vii	161.15 (13)	Tl2C^vi—O3—Tl1A^xiii	100.0 (3)
O6^iii—Tl2A—O7^vii	106.12 (14)	Tl2B^vi—O3—Tl1A^xiii	107.82 (12)
O12^v—Tl2A—O7^vii	84.49 (11)	Tl2A^vi—O3—Tl1A^xiii	105.31 (10)
O8—Tl2A—O7^vii	122.69 (13)	Tl1B^iv—O3—Tl1A^xiii	2.65 (11)
O7^iii—Tl2A—O7^vii	105.65 (13)	Tl2C^xiii—O3—Tl1A^xiii	51.31 (14)
O3^vi—Tl2A—O9^viii	67.53 (10)	Tl2A^xiii—O3—Tl1A^xiii	48.45 (5)
O2—Tl2A—O9^viii	84.95 (13)	As1—O3—Tl2B^xiii	132.28 (9)
O6^iii—Tl2A—O9^viii	127.21 (12)	Fe2^iv—O3—Tl2B^xiii	91.64 (8)
O12^v—Tl2A—O9^viii	123.73 (15)	Tl2C^vi—O3—Tl2B^xiii	54.3 (3)
O8—Tl2A—O9^viii	69.50 (12)	Tl2B^vi—O3—Tl2B^xiii	63.88 (13)
O7^iii—Tl2A—O9^viii	164.03 (13)	Tl2A^vi—O3—Tl2B^xiii	59.06 (9)
O7^vii—Tl2A—O9^viii	90.22 (11)	Tl1B^iv—O3—Tl2B^xiii	48.44 (13)
O3^vi—Tl2A—O10^viii	50.72 (8)	Tl2C^xiii—O3—Tl2B^xiii	3.8 (2)
O2—Tl2A—O10^viii	129.09 (16)	Tl2A^xiii—O3—Tl2B^xiii	3.54 (5)
O6^iii—Tl2A—O10^viii	135.10 (13)	Tl1A^xiii—O3—Tl2B^xiii	49.07 (6)
O12^v—Tl2A—O10^viii	103.61 (12)	As1—O3—Tl1B	26.48 (12)
O8—Tl2A—O10^viii	92.25 (13)	Fe2^iv—O3—Tl1B	105.07 (14)
O7^iii—Tl2A—O10^viii	150.35 (13)	Tl2C^vi—O3—Tl1B	131.6 (3)
O7^vii—Tl2A—O10^viii	46.17 (7)	Tl2B^vi—O3—Tl1B	124.7 (2)
O9^viii—Tl2A—O10^viii	44.78 (7)	Tl2A^vi—O3—Tl1B	126.15 (18)
O3^vi—Tl2A—O12^vi	48.01 (9)	Tl1B^iv—O3—Tl1B	129.18 (12)
O2—Tl2A—O12^vi	114.65 (14)	Tl2C^xiii—O3—Tl1B	158.3 (2)
O6^iii—Tl2A—O12^vi	54.68 (9)	Tl2A^xiii—O3—Tl1B	158.75 (14)
O12^v—Tl2A—O12^vi	104.24 (13)	Tl1A^xiii—O3—Tl1B	127.28 (17)
O8—Tl2A—O12^vi	171.01 (13)	Tl2B^xiii—O3—Tl1B	155.26 (13)
O7^iii—Tl2A—O12^vi	76.97 (12)	As1—O3—Tl1B^xiii	130.50 (12)
O7^vii—Tl2A—O12^vi	51.73 (8)	Fe2^iv—O3—Tl1B^xiii	58.15 (12)
O9^viii—Tl2A—O12^vi	115.55 (11)	Tl2C^vi—O3—Tl1B^xiii	101.3 (3)
O10^viii—Tl2A—O12^vi	87.20 (9)	Tl2B^vi—O3—Tl1B^xiii	109.41 (15)
O3^vi—Tl2A—As1^vi	25.72 (5)	Tl2A^vi—O3—Tl1B^xiii	106.65 (14)
O2—Tl2A—As1^vi	84.90 (10)	Tl1B^iv—O3—Tl1B^xiii	5.04 (19)
O6^iii—Tl2A—As1^vi	72.19 (9)	Tl2C^xiii—O3—Tl1B^xiii	52.12 (17)
O12^v—Tl2A—As1^vi	160.16 (14)	Tl2A^xiii—O3—Tl1B^xiii	49.29 (11)
O8—Tl2A—As1^vi	128.92 (15)	Tl1A^xiii—O3—Tl1B^xiii	2.40 (9)
O7^iii—Tl2A—As1^vi	121.50 (13)	Tl2B^xiii—O3—Tl1B^xiii	49.72 (12)
O7^vii—Tl2A—As1^vi	76.68 (8)	Tl1B—O3—Tl1B^xiii	125.5 (2)
O9^viii—Tl2A—As1^vi	63.26 (8)	As1—O4—Fe1	166.48 (15)
O10^viii—Tl2A—As1^vi	67.47 (8)	As1—O4—Tl2B	89.90 (10)
O12^vi—Tl2A—As1^vi	58.90 (7)	Fe1—O4—Tl2B	103.33 (9)
O3^vi—Tl2A—O4^vi	46.68 (8)	As1—O4—Tl2A^vi	76.96 (11)
O2—Tl2A—O4^vi	68.41 (9)	Fe1—O4—Tl2A^vi	98.20 (11)
O6^iii—Tl2A—O4^vi	47.49 (8)	Tl2B—O4—Tl2A^vi	97.68 (9)
O12^v—Tl2A—O4^vi	153.38 (18)	As1—O4—Tl2C^vi	75.8 (3)
O8—Tl2A—O4^vi	133.41 (14)	Fe1—O4—Tl2C^vi	98.5 (3)
O7^iii—Tl2A—O4^vi	97.99 (12)	Tl2B—O4—Tl2C^vi	101.6 (2)
O7^vii—Tl2A—O4^vi	92.92 (10)	Tl2A^vi—O4—Tl2C^vi	4.18 (17)
O9^viii—Tl2A—O4^vi	82.69 (9)	As1—O4—Tl2A	84.81 (11)
O10^viii—Tl2A—O4^vi	93.26 (10)	Fe1—O4—Tl2A	108.35 (11)
O12^vi—Tl2A—O4^vi	55.57 (8)	Tl2B—O4—Tl2A	5.20 (7)
As1^vi—Tl2A—O4^vi	25.87 (4)	Tl2A^vi—O4—Tl2A	95.45 (10)
O3^vi—Tl2A—As2^iii	107.80 (14)	Tl2C^vi—O4—Tl2A	99.3 (2)
O2—Tl2A—As2^iii	64.63 (10)	As1—O4—Tl2B^vi	72.21 (9)
O6^iii—Tl2A—As2^iii	25.22 (6)	Fe1—O4—Tl2B^vi	103.35 (9)
O12^v—Tl2A—As2^iii	84.29 (12)	Tl2B—O4—Tl2B^vi	95.21 (11)
O8—Tl2A—As2^iii	111.92 (11)	Tl2A^vi—O4—Tl2B^vi	5.28 (8)
O7^iii—Tl2A—As2^iii	26.59 (5)	Tl2C^vi—O4—Tl2B^vi	7.2 (3)
O7^vii—Tl2A—As2^iii	113.46 (13)	Tl2A—O4—Tl2B^vi	92.62 (11)
O9^viii—Tl2A—As2^iii	145.94 (11)	As1—O4—Tl2C	86.4 (3)
O10^viii—Tl2A—As2^iii	155.68 (13)	Fe1—O4—Tl2C	106.8 (2)
O12^vi—Tl2A—As2^iii	68.51 (9)	Tl2B—O4—Tl2C	3.7 (3)
As1^vi—Tl2A—As2^iii	97.41 (10)	Tl2A^vi—O4—Tl2C	95.8 (2)
O4^vi—Tl2A—As2^iii	72.43 (9)	Tl2C^vi—O4—Tl2C	99.6 (2)
O3^vi—Tl2A—O4	100.56 (13)	Tl2A—O4—Tl2C	1.6 (3)
O2—Tl2A—O4	44.83 (9)	Tl2B^vi—O4—Tl2C	93.1 (2)
O6^iii—Tl2A—O4	105.38 (11)	As1—O4—Tl1B	50.23 (13)
O12^v—Tl2A—O4	116.01 (13)	Fe1—O4—Tl1B	139.29 (14)
O8—Tl2A—O4	49.45 (9)	Tl2B—O4—Tl1B	62.09 (19)
O7^iii—Tl2A—O4	120.12 (11)	Tl2A^vi—O4—Tl1B	120.48 (15)
O7^vii—Tl2A—O4	134.10 (14)	Tl2C^vi—O4—Tl1B	121.0 (3)
O9^viii—Tl2A—O4	43.94 (7)	Tl2A—O4—Tl1B	59.2 (2)
O10^viii—Tl2A—O4	88.11 (12)	Tl2B^vi—O4—Tl1B	115.20 (13)
O12^vi—Tl2A—O4	139.43 (11)	Tl2C—O4—Tl1B	60.4 (3)
As1^vi—Tl2A—O4	82.21 (9)	As1—O4—Tl1A	49.70 (7)
O4^vi—Tl2A—O4	84.55 (10)	Fe1—O4—Tl1A	140.71 (10)
As2^iii—Tl2A—O4	109.33 (10)	Tl2B—O4—Tl1A	58.81 (5)
O3^vi—Tl2A—Tl1B^i	161.45 (17)	Tl2A^vi—O4—Tl1A	117.68 (9)
O2—Tl2A—Tl1B^i	53.76 (17)	Tl2C^vi—O4—Tl1A	118.5 (3)
O6^iii—Tl2A—Tl1B^i	79.28 (18)	Tl2A—O4—Tl1A	55.77 (6)
O12^v—Tl2A—Tl1B^i	59.60 (16)	Tl2B^vi—O4—Tl1A	112.41 (7)
O8—Tl2A—Tl1B^i	53.9 (2)	Tl2C—O4—Tl1A	56.96 (19)
O7^iii—Tl2A—Tl1B^i	49.1 (2)	Tl1B—O4—Tl1A	4.04 (18)
O7^vii—Tl2A—Tl1B^i	143.0 (2)	As1—O4—Tl1B^i	49.42 (13)
O9^viii—Tl2A—Tl1B^i	116.1 (2)	Fe1—O4—Tl1B^i	141.78 (14)
O10^viii—Tl2A—Tl1B^i	145.3 (2)	Tl2B—O4—Tl1B^i	55.70 (18)
O12^vi—Tl2A—Tl1B^i	124.9 (2)	Tl2A^vi—O4—Tl1B^i	114.90 (14)
As1^vi—Tl2A—Tl1B^i	137.33 (16)	Tl2C^vi—O4—Tl1B^i	115.9 (3)
O4^vi—Tl2A—Tl1B^i	114.80 (15)	Tl2A—O4—Tl1B^i	52.46 (19)
As2^iii—Tl2A—Tl1B^i	58.25 (19)	Tl2B^vi—O4—Tl1B^i	109.66 (13)
O4—Tl2A—Tl1B^i	75.5 (2)	Tl2C—O4—Tl1B^i	53.7 (3)
O3^vi—Tl2B—O8	149.22 (12)	Tl1B—O4—Tl1B^i	7.9 (3)
O3^vi—Tl2B—O2	108.16 (12)	Tl1A—O4—Tl1B^i	3.91 (17)
O8—Tl2B—O2	73.17 (13)	As2—O5—Fe2	142.35 (13)
O3^vi—Tl2B—O12^v	134.7 (2)	As2—O5—Tl1B^ii	90.4 (3)
O8—Tl2B—O12^v	68.56 (8)	Fe2—O5—Tl1B^ii	126.1 (2)
O2—Tl2B—O12^v	108.07 (11)	As2—O5—Tl1A^xi	93.59 (9)
O3^vi—Tl2B—O9^viii	73.06 (8)	Fe2—O5—Tl1A^xi	123.14 (9)
O8—Tl2B—O9^viii	76.24 (10)	Tl1B^ii—O5—Tl1A^xi	3.4 (2)
O2—Tl2B—O9^viii	88.85 (14)	As2—O5—Tl1B^xi	96.3 (2)
O12^v—Tl2B—O9^viii	133.58 (9)	Fe2—O5—Tl1B^xi	120.6 (2)
O3^vi—Tl2B—O10^viii	54.99 (8)	Tl1B^ii—O5—Tl1B^xi	6.4 (5)
O8—Tl2B—O10^viii	102.08 (8)	Tl1A^xi—O5—Tl1B^xi	3.0 (2)
O2—Tl2B—O10^viii	136.68 (14)	As2—O5—Tl1B	80.61 (19)
O12^v—Tl2B—O10^viii	109.78 (14)	Fe2—O5—Tl1B	68.44 (17)
O9^viii—Tl2B—O10^viii	49.37 (6)	Tl1B^ii—O5—Tl1B	131.69 (18)
O3^vi—Tl2B—O6^iii	78.90 (8)	Tl1A^xi—O5—Tl1B	133.51 (11)
O8—Tl2B—O6^iii	122.70 (14)	Tl1B^xi—O5—Tl1B	135.0 (2)
O2—Tl2B—O6^iii	58.07 (8)	As2—O5—Tl1A	78.54 (8)
O12^v—Tl2B—O6^iii	98.30 (9)	Fe2—O5—Tl1A	69.75 (6)
O9^viii—Tl2B—O6^iii	126.44 (12)	Tl1B^ii—O5—Tl1A	133.1 (2)
O10^viii—Tl2B—O6^iii	133.58 (11)	Tl1A^xi—O5—Tl1A	135.05 (6)
O3^vi—Tl2B—O7^vii	52.16 (10)	Tl1B^xi—O5—Tl1A	136.64 (17)
O8—Tl2B—O7^vii	131.34 (12)	Tl1B—O5—Tl1A	2.70 (16)
O2—Tl2B—O7^vii	155.48 (9)	As2—O5—Tl2A^xi	49.78 (8)
O12^v—Tl2B—O7^vii	84.81 (13)	Fe2—O5—Tl2A^xi	157.69 (10)
O9^viii—Tl2B—O7^vii	97.20 (9)	Tl1B^ii—O5—Tl2A^xi	54.9 (2)
O10^viii—Tl2B—O7^vii	48.95 (8)	Tl1A^xi—O5—Tl2A^xi	56.74 (6)
O6^iii—Tl2B—O7^vii	100.23 (12)	Tl1B^xi—O5—Tl2A^xi	58.40 (17)
O3^vi—Tl2B—O4	105.48 (12)	Tl1B—O5—Tl2A^xi	129.96 (19)
O8—Tl2B—O4	52.13 (10)	Tl1A—O5—Tl2A^xi	128.08 (7)
O2—Tl2B—O4	46.54 (9)	As2—O5—Tl1B^i	76.70 (17)
O12^v—Tl2B—O4	119.12 (12)	Fe2—O5—Tl1B^i	70.94 (16)
O9^viii—Tl2B—O4	46.87 (8)	Tl1B^ii—O5—Tl1B^i	134.2 (3)
O10^viii—Tl2B—O4	95.76 (9)	Tl1A^xi—O5—Tl1B^i	136.33 (10)
O6^iii—Tl2B—O4	101.98 (13)	Tl1B^xi—O5—Tl1B^i	138.05 (15)
O7^vii—Tl2B—O4	144.05 (8)	Tl1B—O5—Tl1B^i	5.1 (3)
O3^vi—Tl2B—As1^vi	25.50 (5)	Tl1A—O5—Tl1B^i	2.40 (13)
O8—Tl2B—As1^vi	135.81 (15)	Tl2A^xi—O5—Tl1B^i	126.37 (17)
O2—Tl2B—As1^vi	83.25 (10)	As2—O5—Tl2C^xi	46.81 (17)
O12^v—Tl2B—As1^vi	155.60 (15)	Fe2—O5—Tl2C^xi	160.19 (18)
O9^viii—Tl2B—As1^vi	66.26 (6)	Tl1B^ii—O5—Tl2C^xi	56.2 (3)
O10^viii—Tl2B—As1^vi	70.68 (6)	Tl1A^xi—O5—Tl2C^xi	58.14 (17)
O6^iii—Tl2B—As1^vi	68.82 (6)	Tl1B^xi—O5—Tl2C^xi	59.9 (2)
O7^vii—Tl2B—As1^vi	77.62 (8)	Tl1B—O5—Tl2C^xi	126.9 (2)
O4—Tl2B—As1^vi	84.53 (9)	Tl1A—O5—Tl2C^xi	125.04 (17)
O3^vi—Tl2B—O7^iii	114.48 (10)	Tl2A^xi—O5—Tl2C^xi	3.08 (18)
O8—Tl2B—O7^iii	95.62 (9)	Tl1B^i—O5—Tl2C^xi	123.3 (2)
O2—Tl2B—O7^iii	73.45 (8)	As2—O5—Tl2B^xi	51.91 (8)
O12^v—Tl2B—O7^iii	53.44 (7)	Fe2—O5—Tl2B^xi	156.29 (10)
O9^viii—Tl2B—O7^iii	162.11 (18)	Tl1B^ii—O5—Tl2B^xi	53.55 (19)
O10^viii—Tl2B—O7^iii	148.46 (17)	Tl1A^xi—O5—Tl2B^xi	55.28 (5)
O6^iii—Tl2B—O7^iii	45.34 (6)	Tl1B^xi—O5—Tl2B^xi	56.85 (17)
O7^vii—Tl2B—O7^iii	100.05 (12)	Tl1B—O5—Tl2B^xi	132.05 (19)
O4—Tl2B—O7^iii	115.66 (12)	Tl1A—O5—Tl2B^xi	130.19 (7)
As1^vi—Tl2B—O7^iii	113.00 (6)	Tl2A^xi—O5—Tl2B^xi	2.14 (10)
O3^vi—Tl2B—O4^vi	44.76 (7)	Tl1B^i—O5—Tl2B^xi	128.49 (17)
O8—Tl2B—O4^vi	134.38 (18)	Tl2C^xi—O5—Tl2B^xi	5.15 (19)
O2—Tl2B—O4^vi	65.24 (9)	As2—O6—Fe1	126.05 (12)
O12^v—Tl2B—O4^vi	141.63 (9)	As2—O6—Tl2A^xi	106.26 (12)
O9^viii—Tl2B—O4^vi	84.79 (8)	Fe1—O6—Tl2A^xi	124.82 (12)
O10^viii—Tl2B—O4^vi	95.78 (8)	As2—O6—Tl2C^xi	106.3 (3)
O6^iii—Tl2B—O4^vi	44.76 (6)	Fe1—O6—Tl2C^xi	126.3 (3)
O7^vii—Tl2B—O4^vi	91.56 (9)	Tl2A^xi—O6—Tl2C^xi	5.3 (2)
O4—Tl2B—O4^vi	84.79 (11)	As2—O6—Tl2B^xi	108.64 (10)
As1^vi—Tl2B—O4^vi	25.29 (4)	Fe1—O6—Tl2B^xi	122.23 (10)
O7^iii—Tl2B—O4^vi	90.02 (7)	Tl2A^xi—O6—Tl2B^xi	2.60 (10)
O3^vi—Tl2B—O12^vi	45.24 (8)	Tl2C^xi—O6—Tl2B^xi	6.8 (3)
O8—Tl2B—O12^vi	165.47 (10)	As2—O6—Tl2C^vii	78.7 (2)
O2—Tl2B—O12^vi	106.12 (8)	Fe1—O6—Tl2C^vii	135.73 (19)
O12^v—Tl2B—O12^vi	98.54 (12)	Tl2A^xi—O6—Tl2C^vii	64.8 (2)
O9^viii—Tl2B—O12^vi	118.27 (9)	Tl2C^xi—O6—Tl2C^vii	59.8 (4)
O10^viii—Tl2B—O12^vi	88.37 (11)	Tl2B^xi—O6—Tl2C^vii	66.6 (3)
O6^iii—Tl2B—O12^vi	50.52 (7)	As2—O6—Tl2B^vii	76.31 (8)
O7^vii—Tl2B—O12^vi	50.28 (8)	Fe1—O6—Tl2B^vii	133.00 (9)
O4—Tl2B—O12^vi	137.64 (10)	Tl2A^xi—O6—Tl2B^vii	70.73 (9)
As1^vi—Tl2B—O12^vi	57.16 (6)	Tl2C^xi—O6—Tl2B^vii	65.8 (2)
O7^iii—Tl2B—O12^vi	70.64 (7)	Tl2B^xi—O6—Tl2B^vii	72.57 (11)
O4^vi—Tl2B—O12^vi	52.86 (6)	Tl2C^vii—O6—Tl2B^vii	6.0 (3)
O3^vi—Tl2B—O2^vi	46.10 (7)	As2—O6—Tl2A^vii	79.49 (9)
O8—Tl2B—O2^vi	109.73 (14)	Fe1—O6—Tl2A^vii	133.98 (9)
O2—Tl2B—O2^vi	72.92 (11)	Tl2A^xi—O6—Tl2A^vii	65.97 (14)
O12^v—Tl2B—O2^vi	177.42 (8)	Tl2C^xi—O6—Tl2A^vii	61.0 (2)
O9^viii—Tl2B—O2^vi	43.85 (7)	Tl2B^xi—O6—Tl2A^vii	67.76 (10)
O10^viii—Tl2B—O2^vi	68.46 (7)	Tl2C^vii—O6—Tl2A^vii	1.8 (2)
O6^iii—Tl2B—O2^vi	84.25 (9)	Tl2B^vii—O6—Tl2A^vii	4.97 (7)
O7^vii—Tl2B—O2^vi	95.15 (8)	As2—O6—Tl1B^ii	55.67 (16)
O4—Tl2B—O2^vi	59.71 (8)	Fe1—O6—Tl1B^ii	138.50 (18)
As1^vi—Tl2B—O2^vi	26.23 (4)	Tl2A^xi—O6—Tl1B^ii	59.44 (15)
O7^iii—Tl2B—O2^vi	129.04 (9)	Tl2C^xi—O6—Tl1B^ii	62.4 (3)
O4^vi—Tl2B—O2^vi	40.95 (6)	Tl2B^xi—O6—Tl1B^ii	60.96 (14)
O12^vi—Tl2B—O2^vi	83.38 (7)	Tl2C^vii—O6—Tl1B^ii	85.3 (2)
O3^vi—Tl2B—As3^viii	66.57 (6)	Tl2B^vii—O6—Tl1B^ii	88.46 (17)
O8—Tl2B—As3^viii	84.53 (8)	Tl2A^vii—O6—Tl1B^ii	87.14 (17)
O2—Tl2B—As3^viii	114.04 (13)	As2—O6—Tl2B	75.09 (8)
O12^v—Tl2B—As3^viii	119.79 (9)	Fe1—O6—Tl2B	76.97 (8)
O9^viii—Tl2B—As3^viii	25.19 (4)	Tl2A^xi—O6—Tl2B	139.02 (8)
O10^viii—Tl2B—As3^viii	25.27 (4)	Tl2C^xi—O6—Tl2B	133.7 (2)
O6^iii—Tl2B—As3^viii	140.22 (8)	Tl2B^xi—O6—Tl2B	140.17 (16)
O7^vii—Tl2B—As3^viii	74.20 (7)	Tl2C^vii—O6—Tl2B	75.8 (3)
O4—Tl2B—As3^viii	70.61 (7)	Tl2B^vii—O6—Tl2B	69.97 (6)
As1^vi—Tl2B—As3^viii	71.55 (5)	Tl2A^vii—O6—Tl2B	74.36 (11)
O7^iii—Tl2B—As3^viii	172.07 (14)	Tl1B^ii—O6—Tl2B	129.88 (17)
O4^vi—Tl2B—As3^viii	95.54 (7)	As2—O6—Tl1A^xi	57.71 (7)
O12^vi—Tl2B—As3^viii	108.40 (9)	Fe1—O6—Tl1A^xi	136.87 (8)
O2^vi—Tl2B—As3^viii	57.80 (6)	Tl2A^xi—O6—Tl1A^xi	58.46 (8)
O3^vi—Tl2C—O12^v	145.5 (4)	Tl2C^xi—O6—Tl1A^xi	61.6 (2)
O3^vi—Tl2C—O6^iii	85.5 (4)	Tl2B^xi—O6—Tl1A^xi	59.90 (7)
O12^v—Tl2C—O6^iii	109.3 (5)	Tl2C^vii—O6—Tl1A^xi	86.74 (19)
O3^vi—Tl2C—O2	105.8 (4)	Tl2B^vii—O6—Tl1A^xi	90.01 (6)
O12^v—Tl2C—O2	108.6 (4)	Tl2A^vii—O6—Tl1A^xi	88.54 (7)
O6^iii—Tl2C—O2	60.2 (3)	Tl1B^ii—O6—Tl1A^xi	2.28 (17)
O3^vi—Tl2C—O7^vii	54.9 (2)	Tl2B—O6—Tl1A^xi	132.08 (6)
O12^v—Tl2C—O7^vii	90.7 (3)	As2—O6—Tl2A	73.27 (9)
O6^iii—Tl2C—O7^vii	112.0 (4)	Fe1—O6—Tl2A	76.91 (8)
O2—Tl2C—O7^vii	160.6 (5)	Tl2A^xi—O6—Tl2A	141.05 (13)
O3^vi—Tl2C—O8	132.8 (6)	Tl2C^xi—O6—Tl2A	135.7 (3)
O12^v—Tl2C—O8	66.0 (3)	Tl2B^xi—O6—Tl2A	142.30 (9)
O6^iii—Tl2C—O8	121.8 (4)	Tl2C^vii—O6—Tl2A	77.4 (2)
O2—Tl2C—O8	67.0 (2)	Tl2B^vii—O6—Tl2A	71.48 (7)
O7^vii—Tl2C—O8	125.7 (5)	Tl2A^vii—O6—Tl2A	75.96 (9)
O3^vi—Tl2C—O7^iii	128.4 (6)	Tl1B^ii—O6—Tl2A	128.38 (17)
O12^v—Tl2C—O7^iii	58.8 (3)	Tl2B—O6—Tl2A	2.59 (8)
O6^iii—Tl2C—O7^iii	50.6 (3)	Tl1A^xi—O6—Tl2A	130.56 (6)
O2—Tl2C—O7^iii	77.4 (3)	As2—O7—Fe2^ii	122.44 (11)
O7^vii—Tl2C—O7^iii	112.3 (4)	As2—O7—Tl1B^ii	99.60 (17)
O8—Tl2C—O7^iii	96.7 (3)	Fe2^ii—O7—Tl1B^ii	97.94 (18)
O3^vi—Tl2C—O12^vi	50.8 (2)	As2—O7—Tl2C^vii	110.0 (3)
O12^v—Tl2C—O12^vi	111.0 (4)	Fe2^ii—O7—Tl2C^vii	94.7 (3)
O6^iii—Tl2C—O12^vi	56.8 (3)	Tl1B^ii—O7—Tl2C^vii	134.3 (4)
O2—Tl2C—O12^vi	113.1 (5)	As2—O7—Tl2C^xi	92.1 (3)
O7^vii—Tl2C—O12^vi	55.3 (2)	Fe2^ii—O7—Tl2C^xi	145.3 (3)
O8—Tl2C—O12^vi	176.4 (5)	Tl1B^ii—O7—Tl2C^xi	77.4 (3)
O7^iii—Tl2C—O12^vi	79.9 (4)	Tl2C^vii—O7—Tl2C^xi	67.7 (4)
O3^vi—Tl2C—O10^viii	52.4 (3)	As2—O7—Tl1A^xi	100.56 (9)
O12^v—Tl2C—O10^viii	107.9 (5)	Fe2^ii—O7—Tl1A^xi	97.82 (8)
O6^iii—Tl2C—O10^viii	137.8 (4)	Tl1B^ii—O7—Tl1A^xi	1.10 (17)
O2—Tl2C—O10^viii	123.5 (5)	Tl2C^vii—O7—Tl1A^xi	133.2 (3)
O7^vii—Tl2C—O10^viii	48.5 (2)	Tl2C^xi—O7—Tl1A^xi	76.9 (2)
O8—Tl2C—O10^viii	91.2 (4)	As2—O7—Tl2A^xi	90.08 (10)
O7^iii—Tl2C—O10^viii	159.0 (4)	Fe2^ii—O7—Tl2A^xi	147.47 (11)
O12^vi—Tl2C—O10^viii	91.7 (3)	Tl1B^ii—O7—Tl2A^xi	73.5 (2)
O3^vi—Tl2C—O9^viii	66.5 (3)	Tl2C^vii—O7—Tl2A^xi	72.4 (3)
O12^v—Tl2C—O9^viii	122.7 (5)	Tl2C^xi—O7—Tl2A^xi	4.73 (18)
O6^iii—Tl2C—O9^viii	122.0 (4)	Tl1A^xi—O7—Tl2A^xi	73.06 (8)
O2—Tl2C—O9^viii	79.4 (3)	As2—O7—Tl2B^vii	108.05 (10)
O7^vii—Tl2C—O9^viii	92.3 (4)	Fe2^ii—O7—Tl2B^vii	89.65 (8)
O8—Tl2C—O9^viii	66.3 (3)	Tl1B^ii—O7—Tl2B^vii	141.32 (19)
O7^iii—Tl2C—O9^viii	155.4 (4)	Tl2C^vii—O7—Tl2B^vii	7.8 (3)
O12^vi—Tl2C—O9^viii	117.3 (4)	Tl2C^xi—O7—Tl2B^vii	75.10 (18)
O10^viii—Tl2C—O9^viii	44.6 (2)	Tl1A^xi—O7—Tl2B^vii	140.26 (7)
O3^vi—Tl2C—Tl2C^ix	93.7 (5)	Tl2A^xi—O7—Tl2B^vii	79.80 (8)
O12^v—Tl2C—Tl2C^ix	62.3 (4)	As2—O7—Tl2A^vii	110.54 (11)
O6^iii—Tl2C—Tl2C^ix	75.3 (6)	Fe2^ii—O7—Tl2A^vii	92.84 (10)
O2—Tl2C—Tl2C^ix	128.9 (8)	Tl1B^ii—O7—Tl2A^vii	135.4 (2)
O7^vii—Tl2C—Tl2C^ix	58.0 (3)	Tl2C^vii—O7—Tl2A^vii	2.0 (3)
O8—Tl2C—Tl2C^ix	128.2 (6)	Tl2C^xi—O7—Tl2A^vii	69.6 (2)
O7^iii—Tl2C—Tl2C^ix	54.3 (4)	Tl1A^xi—O7—Tl2A^vii	134.39 (10)
O12^vi—Tl2C—Tl2C^ix	48.7 (3)	Tl2A^xi—O7—Tl2A^vii	74.35 (13)
O10^viii—Tl2C—Tl2C^ix	105.9 (5)	Tl2B^vii—O7—Tl2A^vii	6.18 (9)
O9^viii—Tl2C—Tl2C^ix	150.3 (6)	As2—O7—Tl1B^xi	101.35 (15)
O3^vi—Tl2C—As1^vi	24.72 (13)	Fe2^ii—O7—Tl1B^xi	97.73 (15)
O12^v—Tl2C—As1^vi	169.5 (4)	Tl1B^ii—O7—Tl1B^xi	2.0 (3)
O6^iii—Tl2C—As1^vi	71.6 (3)	Tl2C^vii—O7—Tl1B^xi	132.4 (4)
O2—Tl2C—As1^vi	81.2 (3)	Tl2C^xi—O7—Tl1B^xi	76.5 (3)
O7^vii—Tl2C—As1^vi	79.5 (3)	Tl1A^xi—O7—Tl1B^xi	0.90 (14)
O8—Tl2C—As1^vi	122.9 (4)	Tl2A^xi—O7—Tl1B^xi	72.67 (17)
O7^iii—Tl2C—As1^vi	121.7 (5)	Tl2B^vii—O7—Tl1B^xi	139.38 (16)
O12^vi—Tl2C—As1^vi	60.3 (2)	Tl2A^vii—O7—Tl1B^xi	133.53 (18)
O10^viii—Tl2C—As1^vi	68.2 (3)	As2—O7—Tl2B^xi	92.59 (10)
O9^viii—Tl2C—As1^vi	62.0 (2)	Fe2^ii—O7—Tl2B^xi	144.92 (10)
Tl2C^ix—Tl2C—As1^vi	108.7 (5)	Tl1B^ii—O7—Tl2B^xi	72.2 (2)
O3^vi—Tl2C—O4^vi	46.0 (2)	Tl2C^vii—O7—Tl2B^xi	72.5 (3)
O12^v—Tl2C—O4^vi	155.8 (6)	Tl2C^xi—O7—Tl2B^xi	5.3 (2)
O6^iii—Tl2C—O4^vi	46.7 (2)	Tl1A^xi—O7—Tl2B^xi	71.63 (8)
O2—Tl2C—O4^vi	65.4 (3)	Tl2A^xi—O7—Tl2B^xi	2.70 (7)
O7^vii—Tl2C—O4^vi	96.1 (3)	Tl2B^vii—O7—Tl2B^xi	79.95 (12)
O8—Tl2C—O4^vi	125.5 (3)	Tl2A^vii—O7—Tl2B^xi	74.37 (10)
O7^iii—Tl2C—O4^vi	97.3 (4)	Tl1B^xi—O7—Tl2B^xi	71.21 (17)
O12^vi—Tl2C—O4^vi	56.5 (2)	As2—O7—Tl1B	52.90 (12)
O10^viii—Tl2C—O4^vi	93.8 (3)	Fe2^ii—O7—Tl1B	69.77 (11)
O9^viii—Tl2C—O4^vi	80.4 (3)	Tl1B^ii—O7—Tl1B	113.2 (2)
Tl2C^ix—Tl2C—O4^vi	102.1 (6)	Tl2C^vii—O7—Tl1B	112.4 (4)
As1^vi—Tl2C—O4^vi	25.60 (10)	Tl2C^xi—O7—Tl1B	143.9 (3)
O3^vi—Tl2C—As2^iii	109.1 (5)	Tl1A^xi—O7—Tl1B	114.21 (18)
O12^v—Tl2C—As2^iii	84.9 (4)	Tl2A^xi—O7—Tl1B	142.66 (12)
O6^iii—Tl2C—As2^iii	25.01 (15)	Tl2B^vii—O7—Tl1B	105.03 (18)
O2—Tl2C—As2^iii	62.3 (3)	Tl2A^vii—O7—Tl1B	111.1 (2)
O7^vii—Tl2C—As2^iii	119.1 (4)	Tl1B^xi—O7—Tl1B	115.0 (3)
O8—Tl2C—As2^iii	107.4 (3)	Tl2B^xi—O7—Tl1B	145.27 (11)
O7^iii—Tl2C—As2^iii	26.34 (14)	As2—O8—Tl2B	140.00 (13)
O12^vi—Tl2C—As2^iii	70.0 (3)	As2—O8—Tl1B	122.2 (3)
O10^viii—Tl2C—As2^iii	160.7 (4)	Tl2B—O8—Tl1B	92.5 (3)
O9^viii—Tl2C—As2^iii	139.2 (4)	As2—O8—Tl2A	145.64 (14)
Tl2C^ix—Tl2C—As2^iii	66.7 (5)	Tl2B—O8—Tl2A	6.34 (9)
As1^vi—Tl2C—As2^iii	96.6 (4)	Tl1B—O8—Tl2A	86.2 (3)
O4^vi—Tl2C—As2^iii	71.5 (3)	As2—O8—Tl1A	128.10 (11)
O3^vi—Tl2C—Tl2A^ix	92.3 (3)	Tl2B—O8—Tl1A	86.74 (7)
O12^v—Tl2C—Tl2A^ix	62.8 (2)	Tl1B—O8—Tl1A	6.0 (3)
O6^iii—Tl2C—Tl2A^ix	77.0 (3)	Tl2A—O8—Tl1A	80.39 (10)
O2—Tl2C—Tl2A^ix	131.1 (5)	As2—O8—Tl1B^i	133.6 (3)
O7^vii—Tl2C—Tl2A^ix	55.8 (2)	Tl2B—O8—Tl1B^i	81.3 (2)
O8—Tl2C—Tl2A^ix	128.8 (3)	Tl1B—O8—Tl1B^i	11.6 (5)
O7^iii—Tl2C—Tl2A^ix	56.5 (2)	Tl2A—O8—Tl1B^i	74.9 (3)
O12^vi—Tl2C—Tl2A^ix	48.24 (18)	Tl1A—O8—Tl1B^i	5.6 (3)
O10^viii—Tl2C—Tl2A^ix	103.7 (3)	As2—O8—Tl2C	146.3 (3)
O9^viii—Tl2C—Tl2A^ix	148.1 (4)	Tl2B—O8—Tl2C	6.4 (3)
Tl2C^ix—Tl2C—Tl2A^ix	2.3 (3)	Tl1B—O8—Tl2C	87.6 (4)
As1^vi—Tl2C—Tl2A^ix	108.0 (3)	Tl2A—O8—Tl2C	4.0 (2)
O4^vi—Tl2C—Tl2A^ix	102.4 (3)	Tl1A—O8—Tl2C	81.7 (3)
As2^iii—Tl2C—Tl2A^ix	68.9 (2)	Tl1B^i—O8—Tl2C	76.2 (4)
O4^viii—Fe1—O4	180.0	As2—O8—Tl2B^vii	78.89 (10)
O4^viii—Fe1—O6^viii	91.70 (10)	Tl2B—O8—Tl2B^vii	88.66 (8)
O4—Fe1—O6^viii	88.30 (10)	Tl1B—O8—Tl2B^vii	137.2 (2)
O4^viii—Fe1—O6	88.30 (10)	Tl2A—O8—Tl2B^vii	93.12 (12)
O4—Fe1—O6	91.70 (10)	Tl1A—O8—Tl2B^vii	135.59 (8)
O6^viii—Fe1—O6	180.0	Tl1B^i—O8—Tl2B^vii	133.6 (2)
O4^viii—Fe1—O9	87.04 (9)	Tl2C—O8—Tl2B^vii	89.6 (3)
O4—Fe1—O9	92.96 (9)	As2—O8—Tl2C^vii	72.5 (2)
O6^viii—Fe1—O9	92.17 (9)	Tl2B—O8—Tl2C^vii	93.0 (2)
O6—Fe1—O9	87.83 (9)	Tl1B—O8—Tl2C^vii	141.7 (3)
O4^viii—Fe1—O9^viii	92.96 (9)	Tl2A—O8—Tl2C^vii	97.78 (17)
O4—Fe1—O9^viii	87.04 (9)	Tl1A—O8—Tl2C^vii	140.7 (2)
O6^viii—Fe1—O9^viii	87.83 (9)	Tl1B^i—O8—Tl2C^vii	139.2 (3)
O6—Fe1—O9^viii	92.17 (9)	Tl2C—O8—Tl2C^vii	94.4 (4)
O9—Fe1—O9^viii	180.00 (12)	Tl2B^vii—O8—Tl2C^vii	6.5 (2)
O4^viii—Fe1—Tl2A^vi	124.04 (9)	As2—O8—Tl2A^vii	75.34 (10)
O4—Fe1—Tl2A^vi	55.96 (9)	Tl2B—O8—Tl2A^vii	90.71 (13)
O6^viii—Fe1—Tl2A^vi	33.14 (8)	Tl1B—O8—Tl2A^vii	140.2 (2)
O6—Fe1—Tl2A^vi	146.86 (8)	Tl2A—O8—Tl2A^vii	95.41 (11)
O9—Fe1—Tl2A^vi	99.80 (8)	Tl1A—O8—Tl2A^vii	138.90 (9)
O9^viii—Fe1—Tl2A^vi	80.20 (8)	Tl1B^i—O8—Tl2A^vii	137.1 (2)
O4^viii—Fe1—Tl2A^xi	55.96 (9)	Tl2C—O8—Tl2A^vii	92.0 (2)
O4—Fe1—Tl2A^xi	124.04 (9)	Tl2B^vii—O8—Tl2A^vii	3.75 (10)
O6^viii—Fe1—Tl2A^xi	146.86 (8)	Tl2C^vii—O8—Tl2A^vii	2.8 (2)
O6—Fe1—Tl2A^xi	33.14 (8)	As2—O8—Tl2C^xi	32.11 (14)
O9—Fe1—Tl2A^xi	80.20 (8)	Tl2B—O8—Tl2C^xi	115.00 (14)
O9^viii—Fe1—Tl2A^xi	99.80 (8)	Tl1B—O8—Tl2C^xi	152.4 (3)
Tl2A^vi—Fe1—Tl2A^xi	180.0	Tl2A—O8—Tl2C^xi	121.35 (16)
O4^viii—Fe1—Tl2C^vi	123.9 (2)	Tl1A—O8—Tl2C^xi	158.25 (14)
O4—Fe1—Tl2C^vi	56.1 (2)	Tl1B^i—O8—Tl2C^xi	163.7 (3)
O6^viii—Fe1—Tl2C^vi	32.4 (2)	Tl2C—O8—Tl2C^xi	120.0 (4)
O6—Fe1—Tl2C^vi	147.6 (2)	Tl2B^vii—O8—Tl2C^xi	50.72 (11)
O9—Fe1—Tl2C^vi	96.31 (16)	Tl2C^vii—O8—Tl2C^xi	44.3 (3)
O9^viii—Fe1—Tl2C^vi	83.69 (16)	Tl2A^vii—O8—Tl2C^xi	46.97 (15)
Tl2A^vi—Fe1—Tl2C^vi	3.50 (15)	As3—O9—Fe1	126.14 (11)
Tl2A^xi—Fe1—Tl2C^vi	176.50 (15)	As3—O9—Tl2B^viii	100.51 (12)
O4^viii—Fe1—Tl2C^xi	56.1 (2)	Fe1—O9—Tl2B^viii	116.35 (12)
O4—Fe1—Tl2C^xi	123.9 (2)	As3—O9—Tl2A^viii	103.06 (11)
O6^viii—Fe1—Tl2C^xi	147.6 (2)	Fe1—O9—Tl2A^viii	115.76 (10)
O6—Fe1—Tl2C^xi	32.4 (2)	Tl2B^viii—O9—Tl2A^viii	3.35 (9)
O9—Fe1—Tl2C^xi	83.69 (16)	As3—O9—Tl2C^viii	99.2 (2)
O9^viii—Fe1—Tl2C^xi	96.31 (16)	Fe1—O9—Tl2C^viii	119.46 (19)
Tl2A^vi—Fe1—Tl2C^xi	176.50 (15)	Tl2B^viii—O9—Tl2C^viii	3.5 (2)
Tl2A^xi—Fe1—Tl2C^xi	3.50 (15)	Tl2A^viii—O9—Tl2C^viii	4.02 (19)
Tl2C^vi—Fe1—Tl2C^xi	180.0	As3—O9—Tl2A^xi	148.12 (11)
O4^viii—Fe1—Tl2B^viii	51.92 (9)	Fe1—O9—Tl2A^xi	73.23 (8)
O4—Fe1—Tl2B^viii	128.08 (9)	Tl2B^viii—O9—Tl2A^xi	89.41 (8)
O6^viii—Fe1—Tl2B^viii	77.24 (7)	Tl2A^viii—O9—Tl2A^xi	86.11 (9)
O6—Fe1—Tl2B^viii	102.76 (7)	Tl2C^viii—O9—Tl2A^xi	88.9 (3)
O9—Fe1—Tl2B^viii	39.51 (8)	As3—O9—Tl2C^xi	149.74 (18)
O9^viii—Fe1—Tl2B^viii	140.49 (8)	Fe1—O9—Tl2C^xi	70.55 (18)
Tl2A^vi—Fe1—Tl2B^viii	103.44 (5)	Tl2B^viii—O9—Tl2C^xi	90.8 (2)
Tl2A^xi—Fe1—Tl2B^viii	76.56 (5)	Tl2A^viii—O9—Tl2C^xi	87.6 (2)
Tl2C^vi—Fe1—Tl2B^viii	100.63 (18)	Tl2C^viii—O9—Tl2C^xi	90.4 (2)
Tl2C^xi—Fe1—Tl2B^viii	79.37 (18)	Tl2A^xi—O9—Tl2C^xi	2.7 (2)
O4^viii—Fe1—Tl2B	128.08 (9)	As3—O9—Tl2B^xi	148.77 (10)
O4—Fe1—Tl2B	51.92 (9)	Fe1—O9—Tl2B^xi	75.38 (8)
O6^viii—Fe1—Tl2B	102.76 (7)	Tl2B^viii—O9—Tl2B^xi	85.66 (11)
O6—Fe1—Tl2B	77.24 (7)	Tl2A^viii—O9—Tl2B^xi	82.35 (7)
O9—Fe1—Tl2B	140.49 (8)	Tl2C^viii—O9—Tl2B^xi	85.1 (2)
O9^viii—Fe1—Tl2B	39.51 (8)	Tl2A^xi—O9—Tl2B^xi	3.77 (8)
Tl2A^vi—Fe1—Tl2B	76.56 (5)	Tl2C^xi—O9—Tl2B^xi	5.8 (2)
Tl2A^xi—Fe1—Tl2B	103.44 (5)	As3—O9—Tl2C^xiii	56.57 (16)
Tl2C^vi—Fe1—Tl2B	79.37 (18)	Fe1—O9—Tl2C^xiii	95.39 (15)
Tl2C^xi—Fe1—Tl2B	100.63 (18)	Tl2B^viii—O9—Tl2C^xiii	75.0 (2)
Tl2B^viii—Fe1—Tl2B	180.0	Tl2A^viii—O9—Tl2C^xiii	78.28 (18)
O5—Fe2—O11	95.79 (10)	Tl2C^viii—O9—Tl2C^xiii	76.7 (4)
O5—Fe2—O1	95.83 (9)	Tl2A^xi—O9—Tl2C^xiii	154.43 (14)
O11—Fe2—O1	94.90 (9)	Tl2C^xi—O9—Tl2C^xiii	153.4 (3)
O5—Fe2—O10^x	87.53 (9)	Tl2B^xi—O9—Tl2C^xiii	152.26 (17)
O11—Fe2—O10^x	91.37 (9)	As3—O9—Tl2C^vi	71.33 (15)
O1—Fe2—O10^x	172.54 (9)	Fe1—O9—Tl2C^vi	60.13 (14)
O5—Fe2—O7^ii	94.10 (9)	Tl2B^viii—O9—Tl2C^vi	110.09 (17)
O11—Fe2—O7^ii	169.50 (9)	Tl2A^viii—O9—Tl2C^vi	112.86 (18)
O1—Fe2—O7^ii	87.58 (9)	Tl2C^viii—O9—Tl2C^vi	112.9 (3)
O10^x—Fe2—O7^ii	85.53 (9)	Tl2A^xi—O9—Tl2C^vi	133.37 (12)
O5—Fe2—O3^iv	174.72 (8)	Tl2C^xi—O9—Tl2C^vi	130.68 (17)
O11—Fe2—O3^iv	85.61 (9)	Tl2B^xi—O9—Tl2C^vi	135.38 (17)
O1—Fe2—O3^iv	89.11 (8)	Tl2C^xiii—O9—Tl2C^vi	41.7 (3)
O10^x—Fe2—O3^iv	87.34 (8)	As3—O9—Tl2B^xiii	56.73 (8)
O7^ii—Fe2—O3^iv	84.23 (9)	Fe1—O9—Tl2B^xiii	99.49 (9)
O5—Fe2—Tl1B	83.71 (16)	Tl2B^viii—O9—Tl2B^xiii	70.07 (7)
O11—Fe2—Tl1B	134.23 (14)	Tl2A^viii—O9—Tl2B^xiii	73.39 (8)
O1—Fe2—Tl1B	40.21 (13)	Tl2C^viii—O9—Tl2B^xiii	71.7 (2)
O10^x—Fe2—Tl1B	134.14 (13)	Tl2A^xi—O9—Tl2B^xiii	152.83 (7)
O7^ii—Fe2—Tl1B	50.57 (15)	Tl2C^xi—O9—Tl2B^xiii	152.35 (17)
O3^iv—Fe2—Tl1B	98.97 (16)	Tl2B^xi—O9—Tl2B^xiii	150.11 (7)
O5—Fe2—Tl2C^xii	135.2 (2)	Tl2C^xiii—O9—Tl2B^xiii	5.39 (19)
O11—Fe2—Tl2C^xii	115.68 (19)	Tl2C^vi—O9—Tl2B^xiii	46.99 (13)
O1—Fe2—Tl2C^xii	111.3 (3)	As3—O10—Fe2^x	135.25 (12)
O10^x—Fe2—Tl2C^xii	62.1 (3)	As3—O10—Tl2B^viii	98.29 (12)
O7^ii—Fe2—Tl2C^xii	54.13 (19)	Fe2^x—O10—Tl2B^viii	93.44 (9)
O3^iv—Fe2—Tl2C^xii	40.4 (2)	As3—O10—Tl2C^viii	105.5 (2)
Tl1B—Fe2—Tl2C^xii	94.5 (3)	Fe2^x—O10—Tl2C^viii	87.1 (2)
O5—Fe2—Tl2B^xii	133.55 (8)	Tl2B^viii—O10—Tl2C^viii	7.4 (3)
O11—Fe2—Tl2B^xii	111.03 (9)	As3—O10—Tl2A^viii	101.32 (11)
O1—Fe2—Tl2B^xii	117.77 (7)	Fe2^x—O10—Tl2A^viii	89.85 (10)
O10^x—Fe2—Tl2B^xii	55.86 (7)	Tl2B^viii—O10—Tl2A^viii	3.64 (12)
O7^ii—Fe2—Tl2B^xii	59.09 (9)	Tl2C^viii—O10—Tl2A^viii	4.2 (2)
O3^iv—Fe2—Tl2B^xii	41.56 (7)	As3—O10—Tl1B^xiii	95.8 (2)
Tl1B—Fe2—Tl2B^xii	101.28 (17)	Fe2^x—O10—Tl1B^xiii	101.6 (2)
Tl2C^xii—Fe2—Tl2B^xii	7.1 (2)	Tl2B^viii—O10—Tl1B^xiii	140.98 (15)
O5—Fe2—Tl2A^xii	136.51 (9)	Tl2C^viii—O10—Tl1B^xiii	139.3 (3)
O11—Fe2—Tl2A^xii	112.58 (9)	Tl2A^viii—O10—Tl1B^xiii	141.70 (15)
O1—Fe2—Tl2A^xii	112.92 (9)	As3—O10—Tl1A^xiii	91.72 (8)
O10^x—Fe2—Tl2A^xii	60.69 (9)	Fe2^x—O10—Tl1A^xiii	106.28 (8)
O7^ii—Fe2—Tl2A^xii	57.26 (8)	Tl2B^viii—O10—Tl1A^xiii	139.97 (8)
O3^iv—Fe2—Tl2A^xii	38.83 (8)	Tl2C^viii—O10—Tl1A^xiii	139.3 (2)
Tl1B—Fe2—Tl2A^xii	97.41 (17)	Tl2A^viii—O10—Tl1A^xiii	141.15 (8)
Tl2C^xii—Fe2—Tl2A^xii	3.2 (2)	Tl1B^xiii—O10—Tl1A^xiii	4.7 (2)
Tl2B^xii—Fe2—Tl2A^xii	4.85 (8)	As3—O10—Tl1B^iv	87.8 (2)
O5—Fe2—Tl1A	84.15 (7)	Fe2^x—O10—Tl1B^iv	110.8 (2)
O11—Fe2—Tl1A	131.70 (7)	Tl2B^viii—O10—Tl1B^iv	138.59 (14)
O1—Fe2—Tl1A	37.68 (6)	Tl2C^viii—O10—Tl1B^iv	138.8 (3)
O10^x—Fe2—Tl1A	136.69 (6)	Tl2A^viii—O10—Tl1B^iv	140.17 (14)
O7^ii—Fe2—Tl1A	52.97 (6)	Tl1B^xiii—O10—Tl1B^iv	9.3 (4)
O3^iv—Fe2—Tl1A	98.74 (6)	Tl1A^xiii—O10—Tl1B^iv	4.6 (2)
Tl1B—Fe2—Tl1A	2.55 (12)	As3—O10—Tl2B^xiii	84.04 (10)
Tl2C^xii—Fe2—Tl1A	95.9 (2)	Fe2^x—O10—Tl2B^xiii	140.47 (10)
Tl2B^xii—Fe2—Tl1A	102.81 (6)	Tl2B^viii—O10—Tl2B^xiii	82.48 (8)
Tl2A^xii—Fe2—Tl1A	98.84 (7)	Tl2C^viii—O10—Tl2B^xiii	84.9 (2)
O5—Fe2—Tl1B^i	84.53 (14)	Tl2A^viii—O10—Tl2B^xiii	84.87 (9)
O11—Fe2—Tl1B^i	129.48 (12)	Tl1B^xiii—O10—Tl2B^xiii	63.04 (16)
O1—Fe2—Tl1B^i	35.47 (11)	Tl1A^xiii—O10—Tl2B^xiii	60.05 (6)
O10^x—Fe2—Tl1B^i	138.92 (11)	Tl1B^iv—O10—Tl2B^xiii	57.31 (15)
O7^ii—Fe2—Tl1B^i	55.08 (13)	As3—O10—Tl2A^xiii	81.21 (9)
O3^iv—Fe2—Tl1B^i	98.53 (14)	Fe2^x—O10—Tl2A^xiii	142.78 (10)
Tl1B—Fe2—Tl1B^i	4.8 (2)	Tl2B^viii—O10—Tl2A^xiii	86.56 (9)
Tl2C^xii—Fe2—Tl1B^i	97.2 (3)	Tl2C^viii—O10—Tl2A^xiii	89.2 (2)
Tl2B^xii—Fe2—Tl1B^i	104.14 (15)	Tl2A^viii—O10—Tl2A^xiii	89.05 (10)
Tl2A^xii—Fe2—Tl1B^i	100.08 (15)	Tl1B^xiii—O10—Tl2A^xiii	59.95 (17)
Tl1A—Fe2—Tl1B^i	2.23 (10)	Tl1A^xiii—O10—Tl2A^xiii	56.72 (6)
O4—As1—O1	111.35 (11)	Tl1B^iv—O10—Tl2A^xiii	53.75 (16)
O4—As1—O3	108.09 (11)	Tl2B^xiii—O10—Tl2A^xiii	4.64 (6)
O1—As1—O3	117.28 (10)	As3—O10—Tl2C^xiii	78.23 (19)
O4—As1—O2	105.89 (12)	Fe2^x—O10—Tl2C^xiii	146.03 (18)
O1—As1—O2	103.87 (11)	Tl2B^viii—O10—Tl2C^xiii	85.1 (2)
O3—As1—O2	109.74 (11)	Tl2C^viii—O10—Tl2C^xiii	88.2 (4)
O4—As1—Tl2B^vi	82.50 (10)	Tl2A^viii—O10—Tl2C^xiii	87.7 (2)
O1—As1—Tl2B^vi	161.67 (10)	Tl1B^xiii—O10—Tl2C^xiii	62.5 (2)
O3—As1—Tl2B^vi	44.89 (11)	Tl1A^xiii—O10—Tl2C^xiii	59.12 (19)
O2—As1—Tl2B^vi	82.71 (11)	Tl1B^iv—O10—Tl2C^xiii	55.9 (2)
O4—As1—Tl2A^vi	77.17 (11)	Tl2B^xiii—O10—Tl2C^xiii	6.0 (2)
O1—As1—Tl2A^vi	163.46 (9)	Tl2A^xiii—O10—Tl2C^xiii	3.57 (13)
O3—As1—Tl2A^vi	46.32 (9)	As3—O11—Fe2	147.97 (13)
O2—As1—Tl2A^vi	86.55 (11)	As3—O11—Tl1B^iv	74.11 (15)
Tl2B^vi—As1—Tl2A^vi	5.82 (8)	Fe2—O11—Tl1B^iv	136.20 (15)
O4—As1—Tl1B	109.71 (17)	As3—O11—Tl1A^xiii	74.20 (8)
O1—As1—Tl1B	41.4 (2)	Fe2—O11—Tl1A^xiii	136.91 (9)
O3—As1—Tl1B	141.82 (17)	Tl1B^iv—O11—Tl1A^xiii	4.21 (18)
O2—As1—Tl1B	64.3 (2)	As3—O11—Tl1B^xiii	74.37 (14)
Tl2B^vi—As1—Tl1B	146.8 (2)	Fe2—O11—Tl1B^xiii	137.28 (15)
Tl2A^vi—As1—Tl1B	150.9 (2)	Tl1B^iv—O11—Tl1B^xiii	8.3 (4)
O4—As1—Tl2C^vi	78.6 (3)	Tl1A^xiii—O11—Tl1B^xiii	4.13 (17)
O1—As1—Tl2C^vi	159.27 (18)	As3—O11—Tl2B^xii	159.69 (11)
O3—As1—Tl2C^vi	42.3 (2)	Fe2—O11—Tl2B^xii	47.38 (8)
O2—As1—Tl2C^vi	90.0 (2)	Tl1B^iv—O11—Tl2B^xii	97.08 (15)
Tl2B^vi—As1—Tl2C^vi	7.5 (3)	Tl1A^xiii—O11—Tl2B^xii	95.68 (7)
Tl2A^vi—As1—Tl2C^vi	4.29 (16)	Tl1B^xiii—O11—Tl2B^xii	94.27 (15)
Tl1B—As1—Tl2C^vi	154.2 (3)	As3—O11—Tl2C^xii	164.81 (18)
O4—As1—Tl1A	110.64 (9)	Fe2—O11—Tl2C^xii	43.96 (14)
O1—As1—Tl1A	46.10 (7)	Tl1B^iv—O11—Tl2C^xii	98.2 (2)
O3—As1—Tl1A	141.27 (7)	Tl1A^xiii—O11—Tl2C^xii	97.17 (15)
O2—As1—Tl1A	59.36 (9)	Tl1B^xiii—O11—Tl2C^xii	96.12 (19)
Tl2B^vi—As1—Tl1A	141.78 (6)	Tl2B^xii—O11—Tl2C^xii	5.36 (18)
Tl2A^vi—As1—Tl1A	145.90 (8)	As3—O12—Tl2C^xiii	142.6 (4)
Tl1B—As1—Tl1A	5.0 (2)	As3—O12—Tl2A^xiii	140.85 (15)
Tl2C^vi—As1—Tl1A	149.2 (2)	Tl2C^xiii—O12—Tl2A^xiii	5.1 (2)
O4—As1—Tl1B^i	111.38 (17)	As3—O12—Tl2B^xiii	134.29 (12)
O1—As1—Tl1B^i	50.7 (2)	Tl2C^xiii—O12—Tl2B^xiii	8.8 (3)
O3—As1—Tl1B^i	140.23 (15)	Tl2A^xiii—O12—Tl2B^xiii	6.95 (9)
O2—As1—Tl1B^i	54.5 (2)	As3—O12—Tl2C^vi	136.8 (2)
Tl2B^vi—As1—Tl1B^i	137.0 (2)	Tl2C^xiii—O12—Tl2C^vi	69.0 (4)
Tl2A^vi—As1—Tl1B^i	141.1 (2)	Tl2A^xiii—O12—Tl2C^vi	73.2 (2)
Tl1B—As1—Tl1B^i	9.8 (4)	Tl2B^xiii—O12—Tl2C^vi	77.4 (2)
Tl2C^vi—As1—Tl1B^i	144.4 (3)	As3—O12—Tl1B^iv	105.94 (19)
Tl1A—As1—Tl1B^i	4.8 (2)	Tl2C^xiii—O12—Tl1B^iv	76.4 (3)
O4—As1—Tl2B	65.74 (9)	Tl2A^xiii—O12—Tl1B^iv	71.88 (15)
O1—As1—Tl2B	104.61 (8)	Tl2B^xiii—O12—Tl1B^iv	74.80 (17)
O3—As1—Tl2B	135.82 (8)	Tl2C^vi—O12—Tl1B^iv	111.5 (3)
O2—As1—Tl2B	42.84 (9)	As3—O12—Tl1A^xiii	101.85 (10)
Tl2B^vi—As1—Tl2B	91.89 (9)	Tl2C^xiii—O12—Tl1A^xiii	78.1 (2)
Tl2A^vi—As1—Tl2B	91.78 (7)	Tl2A^xiii—O12—Tl1A^xiii	73.36 (9)
Tl1B—As1—Tl2B	67.5 (2)	Tl2B^xiii—O12—Tl1A^xiii	75.74 (10)
Tl2C^vi—As1—Tl2B	96.05 (17)	Tl2C^vi—O12—Tl1A^xiii	116.3 (2)
Tl1A—As1—Tl2B	64.33 (4)	Tl1B^iv—O12—Tl1A^xiii	4.8 (2)
Tl1B^i—As1—Tl2B	61.4 (2)	As3—O12—Tl2A^vi	133.49 (12)
O4—As1—Tl2A	70.99 (11)	Tl2C^xiii—O12—Tl2A^vi	71.4 (3)
O1—As1—Tl2A	103.97 (9)	Tl2A^xiii—O12—Tl2A^vi	75.76 (13)
O3—As1—Tl2A	134.43 (9)	Tl2B^xiii—O12—Tl2A^vi	79.68 (10)
O2—As1—Tl2A	37.60 (11)	Tl2C^vi—O12—Tl2A^vi	3.4 (2)
Tl2B^vi—As1—Tl2A	91.71 (10)	Tl1B^iv—O12—Tl2A^vi	114.7 (2)
Tl2A^vi—As1—Tl2A	92.14 (8)	Tl1A^xiii—O12—Tl2A^vi	119.42 (8)
Tl1B—As1—Tl2A	65.3 (2)	As3—O12—Tl1B^xiii	98.06 (16)
Tl2C^vi—As1—Tl2A	96.43 (18)	Tl2C^xiii—O12—Tl1B^xiii	79.6 (3)
Tl1A—As1—Tl2A	61.81 (6)	Tl2A^xiii—O12—Tl1B^xiii	74.82 (14)
Tl1B^i—As1—Tl2A	58.5 (2)	Tl2B^xiii—O12—Tl1B^xiii	76.69 (16)
Tl2B—As1—Tl2A	5.35 (7)	Tl2C^vi—O12—Tl1B^xiii	120.6 (3)
O6—As2—O5	112.19 (11)	Tl1B^iv—O12—Tl1B^xiii	9.2 (4)
O6—As2—O7	108.23 (11)	Tl1A^xiii—O12—Tl1B^xiii	4.42 (17)
O5—As2—O7	109.50 (11)	Tl2A^vi—O12—Tl1B^xiii	123.78 (19)
O6—As2—O8	108.63 (11)	As3—O12—Tl2B^vi	134.55 (12)
O5—As2—O8	111.53 (11)	Tl2C^xiii—O12—Tl2B^vi	73.0 (3)
O7—As2—O8	106.56 (10)	Tl2A^xiii—O12—Tl2B^vi	77.09 (9)
O6—As2—Tl1B^ii	102.43 (17)	Tl2B^xiii—O12—Tl2B^vi	81.46 (12)
O5—As2—Tl1B^ii	62.73 (19)	Tl2C^vi—O12—Tl2B^vi	4.5 (2)
O7—As2—Tl1B^ii	53.70 (19)	Tl1B^iv—O12—Tl2B^vi	111.1 (2)
O8—As2—Tl1B^ii	147.66 (17)	Tl1A^xiii—O12—Tl2B^vi	115.93 (9)
O6—As2—Tl2A^xi	48.51 (9)	Tl2A^vi—O12—Tl2B^vi	4.80 (8)
O5—As2—Tl2A^xi	110.40 (10)	Tl1B^xiii—O12—Tl2B^vi	120.33 (19)
O7—As2—Tl2A^xi	63.33 (9)	As3—O12—Tl2B^viii	57.27 (8)
O8—As2—Tl2A^xi	137.72 (10)	Tl2C^xiii—O12—Tl2B^viii	87.6 (4)
Tl1B^ii—As2—Tl2A^xi	61.81 (17)	Tl2A^xiii—O12—Tl2B^viii	87.72 (12)
O6—As2—Tl2C^xi	48.7 (2)	Tl2B^xiii—O12—Tl2B^viii	80.79 (8)
O5—As2—Tl2C^xi	114.46 (19)	Tl2C^vi—O12—Tl2B^viii	119.4 (3)
O7—As2—Tl2C^xi	61.6 (2)	Tl1B^iv—O12—Tl2B^viii	115.9 (2)
O8—As2—Tl2C^xi	133.80 (19)	Tl1A^xiii—O12—Tl2B^viii	111.69 (9)
Tl1B^ii—As2—Tl2C^xi	64.3 (2)	Tl2A^vi—O12—Tl2B^viii	117.69 (10)
Tl2A^xi—As2—Tl2C^xi	4.18 (17)	Tl1B^xiii—O12—Tl2B^viii	107.8 (2)
O6—As2—Tl1A^xi	101.68 (8)	Tl2B^vi—O12—Tl2B^viii	122.47 (11)
O5—As2—Tl1A^xi	61.84 (8)	As3—O12—Tl2A^viii	57.41 (8)
O7—As2—Tl1A^xi	55.05 (7)	Tl2C^xiii—O12—Tl2A^viii	87.4 (4)
O8—As2—Tl1A^xi	148.71 (8)	Tl2A^xiii—O12—Tl2A^viii	87.47 (11)
Tl1B^ii—As2—Tl1A^xi	1.42 (17)	Tl2B^xiii—O12—Tl2A^viii	80.53 (8)
Tl2A^xi—As2—Tl1A^xi	61.71 (6)	Tl2C^vi—O12—Tl2A^viii	119.6 (3)
Tl2C^xi—As2—Tl1A^xi	64.28 (19)	Tl1B^iv—O12—Tl2A^viii	115.5 (2)
O6—As2—Tl2C^vii	77.7 (2)	Tl1A^xiii—O12—Tl2A^viii	111.30 (7)
O5—As2—Tl2C^vii	156.3 (2)	Tl2A^vi—O12—Tl2A^viii	117.93 (10)
O7—As2—Tl2C^vii	47.2 (2)	Tl1B^xiii—O12—Tl2A^viii	107.4 (2)
O8—As2—Tl2C^vii	83.6 (3)	Tl2B^vi—O12—Tl2A^viii	122.72 (7)
Tl1B^ii—As2—Tl2C^vii	94.6 (3)	Tl2B^viii—O12—Tl2A^viii	0.42 (11)
Tl2A^xi—As2—Tl2C^vii	59.0 (2)	As3—O12—H12	101 (3)
Tl2C^xi—As2—Tl2C^vii	54.9 (4)	Tl2C^xiii—O12—H12	116 (3)
Tl1A^xi—As2—Tl2C^vii	95.6 (2)	Tl2A^xiii—O12—H12	118 (3)
O6—As2—Tl2B^xi	48.84 (8)	Tl2B^xiii—O12—H12	125 (3)
O5—As2—Tl2B^xi	109.53 (11)	Tl2C^vi—O12—H12	56 (3)
O7—As2—Tl2B^xi	63.38 (9)	Tl1B^iv—O12—H12	95 (3)
O8—As2—Tl2B^xi	138.60 (11)	Tl1A^xiii—O12—H12	98 (3)
Tl1B^ii—As2—Tl2B^xi	61.06 (16)	Tl2A^vi—O12—H12	56 (3)
Tl2A^xi—As2—Tl2B^xi	0.88 (12)	Tl1B^xiii—O12—H12	101 (3)
Tl2C^xi—As2—Tl2B^xi	5.0 (2)	Tl2B^vi—O12—H12	52 (3)
Tl1A^xi—As2—Tl2B^xi	60.95 (5)	Tl2B^viii—O12—H12	146 (3)
Tl2C^vii—As2—Tl2B^xi	59.7 (2)	Tl2A^viii—O12—H12	146 (3)
O6—As2—Tl1B	136.29 (14)

Symmetry codes: (i) −x+1, −y+2, −z; (ii) −x, −y+2, −z; (iii) x+1, y, z; (iv) −x+1, −y+1, −z; (v) x, y+1, z; (vi) −x+1, −y+1, −z+1; (vii) −x, −y+2, −z+1; (viii) −x, −y+1, −z+1; (ix) −x+1, −y+2, −z+1; (x) −x, −y+1, −z; (xi) x−1, y, z; (xii) x, y, z−1; (xiii) x, y−1, z.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O2—H2···O9^iii	0.85 (3)	1.86 (3)	2.707 (3)	176 (5)
O8—H8···O10^v	0.982 (2)	1.598 (2)	2.569 (3)	169.44 (15)
O12—H12···O3	0.88 (3)	1.86 (3)	2.729 (3)	172 (5)

Symmetry codes: (iii) x+1, y, z; (v) x, y+1, z.