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

Schwendtner, K.; Kolitsch, U.

doi:10.1107/S2056989018006473

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

Rubidium iron bis[hydrogen arsenate(V)] and thallium iron bis[hydrogen arsenate(V)] were grown under mild hydrothermal conditions (T = 493 K, 7 d). RbFe(HAsO₄)₂ adopts the RbFe(HPO₄)₂ structure type (space group R $\overline{3}$ c), while TlFe(HAsO₄)₂ crystallizes in the (NH₄)Fe(HPO₄)₂ structure type (space group P $\overline{1}$ ).

Keywords: crystal structure; RbFe(HAsO₄)₂; TlFe(HAsO₄)₂; arsenate; hydrogenarsenate(V); framework structure; cation disorder.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S2056989018006473/pj2051sup1.cif Contains datablocks RbFeHAsO42, TlFeHAsO42
	Structure factor file (CIF format) https://doi.org/10.1107/S2056989018006473/pj2051RbFeHAsO42sup3.hkl Contains datablock RbFeHAsO42
	Structure factor file (CIF format) https://doi.org/10.1107/S2056989018006473/pj2051TlFeHAsO42sup2.hkl Contains datablock TlFeHAsO42

CCDC references: 1839860; 1839859

checkCIF report

Key indicators

Structure: RbFeHAsO42

Single-crystal X-ray study
T = 293 K
Mean (e-O) = 0.002 Å
R factor = 0.021
wR factor = 0.052
Data-to-parameter ratio = 17.8

Structure: TlFeHAsO42

Single-crystal X-ray study
T = 293 K
Mean (s-O) = 0.002 Å
Disorder in main residue
R factor = 0.022
wR factor = 0.051
Data-to-parameter ratio = 18.8

checkCIF/PLATON results

No syntax errors found



Datablock: RbFeHAsO42



Alert level C
PLAT975_ALERT_2_C Check Calcd Resid. Dens.  0.61A   From O3              0.45 eA-3

Alert level G
FORMU01_ALERT_1_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and _chemical_formula_moiety. This is
            usually due to the moiety formula being in the wrong format.
            Atom count from _chemical_formula_sum:   H2 As2 Fe1 O8 Rb1
            Atom count from _chemical_formula_moiety:
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          2 Note
PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension          2 Info
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings  Differ     Please Check
PLAT045_ALERT_1_G Calculated and Reported Z Differ by a Factor ...       0.11 Check
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT  Unusually Large      19.87 Why ?
PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ...          2 Units
PLAT172_ALERT_4_G The CIF-Embedded .res File Contains DFIX Records          1 Report
PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K)        293 Check
PLAT200_ALERT_1_G Reported   _diffrn_ambient_temperature ..... (K)        293 Check
PLAT794_ALERT_5_G Tentative Bond Valency for Fe1       (III)     .       3.12 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Fe2       (III)     .       3.14 Info
PLAT860_ALERT_3_G Number of Least-Squares Restraints .............          1 Note
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min).          1 Note
PLAT933_ALERT_2_G Number of OMIT Records in Embedded .res File ...          1 Note
PLAT951_ALERT_5_G Calculated (ThMax) and CIF-Reported Kmax Differ           2 Units

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   1 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  16 ALERT level G = General information/check it is not something unexpected

   6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   4 ALERT type 5 Informative message, check




Datablock: TlFeHAsO42



Alert level B
PLAT430_ALERT_2_B Short Inter D...A Contact  O3       ..O7               2.76 Ang.

Alert level C
PLAT041_ALERT_1_C Calc. and Reported SumFormula    Strings  Differ     Please Check
PLAT751_ALERT_4_C Bond    Calc     0.98000, Rep    0.982(2) ......  Senseless s.u.
              O8       -H8              1.555   1.555 ........     #   99 Check
PLAT755_ALERT_4_C D-H     Calc     0.98000, Rep    0.982(2) ......  Senseless s.u.
              O8       -H8              1.555   1.555 ........     #  100 Check
PLAT756_ALERT_4_C H...A   Calc     1.60000, Rep    1.598(2) ......  Senseless s.u.
              H8       -O10             1.555   1.565 ........     #  100 Check
PLAT934_ALERT_3_C Number of (Iobs-Icalc)/SigmaW > 10 Outliers ....          1 Check
PLAT975_ALERT_2_C Check Calcd Resid. Dens.  0.64A   From O12             0.62 eA-3
PLAT975_ALERT_2_C Check Calcd Resid. Dens.  1.00A   From O10             0.57 eA-3

Alert level G
FORMU01_ALERT_1_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and _chemical_formula_moiety. This is
            usually due to the moiety formula being in the wrong format.
            Atom count from _chemical_formula_sum:   H2 As2 Fe1 O8 Tl1
            Atom count from _chemical_formula_moiety:
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          4 Note
PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension          3 Info
PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms ..............          1 Report
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings  Differ     Please Check
PLAT045_ALERT_1_G Calculated and Reported Z Differ by a Factor ...       0.33 Check
PLAT154_ALERT_1_G The s.u.'s on the Cell Angles are Equal ..(Note)       0.03 Degree
PLAT172_ALERT_4_G The CIF-Embedded .res File Contains DFIX Records          2 Report
PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K)        293 Check
PLAT200_ALERT_1_G Reported   _diffrn_ambient_temperature ..... (K)        293 Check
PLAT301_ALERT_3_G Main Residue  Disorder ..............(Resd  1  )         9% Note
PLAT794_ALERT_5_G Tentative Bond Valency for Fe1       (III)     .       3.11 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Fe2       (III)     .       3.12 Info
PLAT860_ALERT_3_G Number of Least-Squares Restraints .............          4 Note
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min).          1 Note
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         17 Note

   0 ALERT level A = Most likely a serious problem - resolve or explain
   1 ALERT level B = A potentially serious problem, consider carefully
   7 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  16 ALERT level G = General information/check it is not something unexpected

   7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   5 ALERT type 4 Improvement, methodology, query or suggestion
   4 ALERT type 5 Informative message, check

Computing details top

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) top

Crystal data top

RbFe(HAsO₄)₂	D_x = 3.741 Mg m⁻³
M_r = 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) Å³	T = 293 K
Z = 18	Hexagonal platelet, colourless
F(000) = 3510	0.09 × 0.08 × 0.03 mm

Data collection top

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

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F² > 2σ(F²)] = 0.021	All H-atom parameters refined
wR(F²) = 0.052	w = 1/[σ²(F_o²) + (0.0241P)² + 19.8694P] where P = (F_o² + 2F_c²)/3
S = 1.12	(Δ/σ)_max = 0.001
1105 reflections	Δρ_max = 0.87 e Å⁻³
62 parameters	Δρ_min = −0.72 e Å⁻³
1 restraint	Extinction correction: SHELXL2016 (Sheldrick, 2015), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.000112 (19)

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
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 (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
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) top

Rb1—O3	3.146 (2)	Rb2—O3^xii	3.640 (2)
Rb1—O3ⁱ	3.147 (2)	Rb2—O3^xiii	3.640 (2)
Rb1—O3ⁱⁱ	3.147 (2)	Rb2—O3^xiv	3.640 (2)
Rb1—O3ⁱⁱⁱ	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—O2ⁱⁱ	3.3671 (19)	Fe1—O2^xv	1.9957 (18)
Rb1—O2^iv	3.3671 (19)	Fe1—O2ⁱⁱⁱ	1.9957 (18)
Rb1—O2ⁱⁱⁱ	3.3671 (19)	Fe1—O2^xvi	1.9957 (18)
Rb1—O2ⁱ	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—Hⁱⁱⁱ	3.28 (3)	Fe2—O1^xix	1.998 (2)
Rb2—O3^v	2.965 (2)	Fe2—O1^v	1.998 (2)
Rb2—O3ⁱⁱⁱ	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—O4ⁱⁱ	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—O3ⁱ	164.86 (8)	O4^xi—Rb2—As^xii	70.60 (3)
O3—Rb1—O3ⁱⁱ	121.47 (8)	O3^xii—Rb2—As^xii	26.95 (3)
O3ⁱ—Rb1—O3ⁱⁱ	68.99 (6)	O3^xiii—Rb2—As^xii	62.25 (4)
O3—Rb1—O3ⁱⁱⁱ	68.99 (6)	O3^xiv—Rb2—As^xii	96.36 (4)
O3ⁱ—Rb1—O3ⁱⁱⁱ	103.28 (7)	O3^v—Rb2—As^xiii	101.27 (5)
O3ⁱⁱ—Rb1—O3ⁱⁱⁱ	164.86 (8)	O3ⁱⁱⁱ—Rb2—As^xiii	105.92 (5)
O3—Rb1—O3^iv	103.28 (8)	O3—Rb2—As^xiii	175.05 (4)
O3ⁱ—Rb1—O3^iv	68.99 (6)	O1^vi—Rb2—As^xiii	88.88 (4)
O3ⁱⁱ—Rb1—O3^iv	68.99 (6)	O1^vii—Rb2—As^xiii	25.79 (3)
O3ⁱⁱⁱ—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)
O3ⁱ—Rb1—O3^v	121.47 (8)	O4^x—Rb2—As^xiii	70.60 (3)
O3ⁱⁱ—Rb1—O3^v	103.28 (7)	O4^xi—Rb2—As^xiii	26.10 (3)
O3ⁱⁱⁱ—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—O2ⁱⁱ	126.04 (5)	O3^xiv—Rb2—As^xiii	62.24 (4)
O3ⁱ—Rb1—O2ⁱⁱ	68.90 (5)	As^xii—Rb2—As^xiii	78.998 (15)
O3ⁱⁱ—Rb1—O2ⁱⁱ	48.72 (5)	O3^v—Rb2—As^xiv	175.05 (4)
O3ⁱⁱⁱ—Rb1—O2ⁱⁱ	116.78 (5)	O3ⁱⁱⁱ—Rb2—As^xiv	101.27 (5)
O3^iv—Rb1—O2ⁱⁱ	113.39 (5)	O3—Rb2—As^xiv	105.92 (5)
O3^v—Rb1—O2ⁱⁱ	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)
O3ⁱ—Rb1—O2^iv	113.39 (5)	O1^viii—Rb2—As^xiv	25.79 (3)
O3ⁱⁱ—Rb1—O2^iv	68.90 (5)	O4^ix—Rb2—As^xiv	70.60 (3)
O3ⁱⁱⁱ—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)
O2ⁱⁱ—Rb1—O2^iv	112.77 (3)	O3^xiii—Rb2—As^xiv	96.36 (4)
O3—Rb1—O2ⁱⁱⁱ	113.39 (5)	O3^xiv—Rb2—As^xiv	26.95 (3)
O3ⁱ—Rb1—O2ⁱⁱⁱ	65.41 (5)	As^xii—Rb2—As^xiv	78.998 (15)
O3ⁱⁱ—Rb1—O2ⁱⁱⁱ	116.78 (5)	As^xiii—Rb2—As^xiv	78.997 (15)
O3ⁱⁱⁱ—Rb1—O2ⁱⁱⁱ	48.72 (5)	O2^xv—Fe1—O2ⁱⁱⁱ	91.74 (8)
O3^iv—Rb1—O2ⁱⁱⁱ	126.04 (5)	O2^xv—Fe1—O2^xvi	91.74 (8)
O3^v—Rb1—O2ⁱⁱⁱ	68.90 (5)	O2ⁱⁱⁱ—Fe1—O2^xvi	91.74 (8)
O2ⁱⁱ—Rb1—O2ⁱⁱⁱ	74.90 (6)	O2^xv—Fe1—O4^xvii	92.04 (8)
O2^iv—Rb1—O2ⁱⁱⁱ	171.63 (6)	O2ⁱⁱⁱ—Fe1—O4^xvii	175.92 (8)
O3—Rb1—O2ⁱ	116.78 (5)	O2^xvi—Fe1—O4^xvii	89.66 (7)
O3ⁱ—Rb1—O2ⁱ	48.72 (5)	O2^xv—Fe1—O4^v	89.66 (7)
O3ⁱⁱ—Rb1—O2ⁱ	113.39 (5)	O2ⁱⁱⁱ—Fe1—O4^v	92.04 (8)
O3ⁱⁱⁱ—Rb1—O2ⁱ	65.41 (5)	O2^xvi—Fe1—O4^v	175.92 (8)
O3^iv—Rb1—O2ⁱ	68.90 (5)	O4^xvii—Fe1—O4^v	86.47 (8)
O3^v—Rb1—O2ⁱ	126.04 (5)	O2^xv—Fe1—O4^xviii	175.92 (8)
O2ⁱⁱ—Rb1—O2ⁱ	112.77 (3)	O2ⁱⁱⁱ—Fe1—O4^xviii	89.66 (7)
O2^iv—Rb1—O2ⁱ	112.77 (3)	O2^xvi—Fe1—O4^xviii	92.04 (7)
O2ⁱⁱⁱ—Rb1—O2ⁱ	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)
O3ⁱ—Rb1—O2^v	126.04 (5)	O2^xv—Fe1—Rb2^xxi	124.02 (5)
O3ⁱⁱ—Rb1—O2^v	65.41 (5)	O2ⁱⁱⁱ—Fe1—Rb2^xxi	124.02 (6)
O3ⁱⁱⁱ—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)
O2ⁱⁱ—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)
O2ⁱⁱⁱ—Rb1—O2^v	112.77 (3)	O1^vii—Fe2—O1^xix	93.72 (8)
O2ⁱ—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
O3ⁱ—Rb1—O2	116.78 (5)	O1^xiv—Fe2—O1^v	86.29 (8)
O3ⁱⁱ—Rb1—O2	126.04 (5)	O1^xix—Fe2—O1^v	86.29 (8)
O3ⁱⁱⁱ—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)
O2ⁱⁱ—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)
O2ⁱⁱⁱ—Rb1—O2	112.77 (3)	O1^xiv—Fe2—O1^xvii	86.29 (8)
O2ⁱ—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)
O3ⁱ—Rb1—H	169.7 (7)	O1^vii—Fe2—Rb2^xix	58.77 (7)
O3ⁱⁱ—Rb1—H	107.3 (5)	O1^xiv—Fe2—Rb2^xix	70.91 (7)
O3ⁱⁱⁱ—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)
O2ⁱⁱ—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)
O2ⁱⁱⁱ—Rb1—H	123.8 (6)	O1^xiv—Fe2—Rb2^xvii	109.09 (7)
O2ⁱ—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)
O3ⁱ—Rb1—H^v	107.3 (6)	Rb2^xix—Fe2—Rb2^xvii	180.0
O3ⁱⁱ—Rb1—H^v	100.7 (6)	O1^vii—Fe2—Rb2^xvi	109.09 (7)
O3ⁱⁱⁱ—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)
O2ⁱⁱ—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)
O2ⁱⁱⁱ—Rb1—H^v	57.1 (6)	Rb2^xix—Fe2—Rb2^xvi	60.0
O2ⁱ—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—Hⁱⁱⁱ	68.5 (6)	O1^v—Fe2—Rb2	146.10 (6)
O3ⁱ—Rb1—Hⁱⁱⁱ	100.7 (6)	O1^xviii—Fe2—Rb2	58.77 (7)
O3ⁱⁱ—Rb1—Hⁱⁱⁱ	169.7 (6)	O1^xvii—Fe2—Rb2	70.91 (7)
O3ⁱⁱⁱ—Rb1—Hⁱⁱⁱ	14.3 (5)	Rb2^xix—Fe2—Rb2	60.0
O3^iv—Rb1—Hⁱⁱⁱ	107.3 (5)	Rb2^xvii—Fe2—Rb2	120.0
O3^v—Rb1—Hⁱⁱⁱ	82.4 (5)	Rb2^xvi—Fe2—Rb2	120.0
O2ⁱⁱ—Rb1—Hⁱⁱⁱ	129.4 (6)	O1^vii—Fe2—Rb2^xxii	70.91 (7)
O2^iv—Rb1—Hⁱⁱⁱ	116.4 (7)	O1^xiv—Fe2—Rb2^xxii	146.11 (6)
O2ⁱⁱⁱ—Rb1—Hⁱⁱⁱ	56.9 (6)	O1^xix—Fe2—Rb2^xxii	58.77 (7)
O2ⁱ—Rb1—Hⁱⁱⁱ	56.8 (6)	O1^v—Fe2—Rb2^xxii	109.09 (7)
O2^v—Rb1—Hⁱⁱⁱ	123.8 (6)	O1^xviii—Fe2—Rb2^xxii	33.90 (6)
O2—Rb1—Hⁱⁱⁱ	57.1 (6)	O1^xvii—Fe2—Rb2^xxii	121.23 (7)
H—Rb1—Hⁱⁱⁱ	82.7 (9)	Rb2^xix—Fe2—Rb2^xxii	120.0
H^v—Rb1—Hⁱⁱⁱ	82.7 (9)	Rb2^xvii—Fe2—Rb2^xxii	60.0
O3^v—Rb2—O3ⁱⁱⁱ	73.88 (7)	Rb2^xvi—Fe2—Rb2^xxii	180.0
O3^v—Rb2—O3	73.87 (8)	Rb2—Fe2—Rb2^xxii	60.0
O3ⁱⁱⁱ—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)
O3ⁱⁱⁱ—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)
O3ⁱⁱⁱ—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
O3ⁱⁱⁱ—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—O4ⁱⁱ	107.24 (10)
O3^v—Rb2—O4^ix	113.60 (6)	O2—As—O4ⁱⁱ	114.38 (9)
O3ⁱⁱⁱ—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)	O4ⁱⁱ—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)	O4ⁱⁱ—As—Rb2^xii	68.86 (6)
O3ⁱⁱⁱ—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)	O4ⁱⁱ—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)
O3ⁱⁱⁱ—Rb2—O4^xi	113.60 (6)	O2—As—Rb2	101.13 (6)
O3—Rb2—O4^xi	158.54 (6)	O4ⁱⁱ—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)	O4ⁱⁱ—As—Rb2^xxiv	63.02 (6)
O3ⁱⁱⁱ—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)
O3ⁱⁱⁱ—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)
O3ⁱⁱⁱ—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)
O3ⁱⁱⁱ—Rb2—As^xii	175.05 (5)	Asⁱⁱ—O4—Fe1^xxvi	129.96 (10)
O3—Rb2—As^xii	101.27 (5)	Asⁱⁱ—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)	Asⁱⁱ—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) top

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) top

Crystal data top

TlFe(HAsO₄)₂	Z = 3
M_r = 540.08	F(000) = 717
Triclinic, P1	D_x = 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) Å³	0.10 × 0.05 × 0.04 mm

Data collection top

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

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F² > 2σ(F²)] = 0.022	Only H-atom displacement parameters refined
wR(F²) = 0.051	w = 1/[σ²(F_o²) + (0.0193P)² + 0.8062P] where P = (F_o² + 2F_c²)/3
S = 1.06	(Δ/σ)_max = 0.005
3906 reflections	Δρ_max = 0.96 e Å⁻³
208 parameters	Δρ_min = −1.13 e Å⁻³
4 restraints	Extinction correction: SHELXL2016 (Sheldrick, 2015), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0068 (2)

Special details top

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	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 (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
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) top

Tl1A—Tl1Bⁱ	0.327 (15)	Tl2B—O6ⁱⁱⁱ	3.283 (3)
Tl1A—O1	2.853 (2)	Tl2B—O7^vii	3.380 (6)
Tl1A—O1ⁱ	2.853 (2)	Tl2B—O4	3.650 (6)
Tl1A—O8ⁱ	3.094 (3)	Tl2B—As1^vi	3.682 (3)
Tl1A—O8	3.094 (3)	Tl2B—O7ⁱⁱⁱ	3.698 (3)
Tl1A—O2	3.227 (3)	Tl2B—O4^vi	3.833 (4)
Tl1A—O2ⁱ	3.227 (3)	Tl2B—O12^vi	3.843 (4)
Tl1A—O7ⁱⁱ	3.344 (2)	Tl2B—O2^vi	3.861 (4)
Tl1A—O7ⁱⁱⁱ	3.344 (2)	Tl2B—As3^viii	3.879 (2)
Tl1A—O5ⁱⁱ	3.543 (2)	Tl2C—O3^vi	2.711 (13)
Tl1A—O5ⁱⁱⁱ	3.543 (2)	Tl2C—O12^v	2.931 (13)
Tl1A—O12^iv	3.615 (3)	Tl2C—O6ⁱⁱⁱ	2.970 (18)
Tl1A—O12^v	3.615 (3)	Tl2C—O2	3.111 (12)
Tl1A—As1ⁱ	3.7440 (14)	Tl2C—O7^vii	3.197 (12)
Tl1A—As1	3.7440 (14)	Tl2C—O8	3.258 (14)
Tl1B—Tl1Bⁱ	0.65 (3)	Tl2C—O7ⁱⁱⁱ	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—O7ⁱⁱ	3.022 (15)	Tl2C—O9^viii	3.640 (16)
Tl1B—O1ⁱ	3.045 (14)	Tl2C—Tl2C^ix	3.64 (3)
Tl1B—O2ⁱ	3.146 (8)	Tl2C—As1^vi	3.706 (13)
Tl1B—O8ⁱ	3.205 (11)	Tl2C—O4^vi	3.749 (14)
Tl1B—O5ⁱⁱ	3.286 (10)	Tl2C—As2ⁱⁱⁱ	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—O7ⁱⁱⁱ	3.666 (15)	Fe1—O6^viii	2.015 (2)
Tl1B—As2ⁱⁱ	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—O5ⁱⁱⁱ	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—O6ⁱⁱⁱ	2.936 (5)	Fe2—O10^x	2.014 (2)
Tl2A—O12^v	3.020 (4)	Fe2—O7ⁱⁱ	2.044 (2)
Tl2A—O8	3.091 (5)	Fe2—O3^iv	2.065 (2)
Tl2A—O7ⁱⁱⁱ	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—As2ⁱⁱⁱ	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)

Tl1Bⁱ—Tl1A—O1	123.3 (15)	O5—As2—Tl1B	76.3 (2)
Tl1Bⁱ—Tl1A—O1ⁱ	56.7 (15)	O7—As2—Tl1B	108.47 (12)
O1—Tl1A—O1ⁱ	180.0	O8—As2—Tl1B	37.3 (2)
Tl1Bⁱ—Tl1A—O8ⁱ	72.9 (17)	Tl1Bⁱⁱ—As2—Tl1B	118.22 (18)
O1—Tl1A—O8ⁱ	115.26 (7)	Tl2A^xi—As2—Tl1B	170.49 (16)
O1ⁱ—Tl1A—O8ⁱ	64.74 (7)	Tl2C^xi—As2—Tl1B	166.8 (2)
Tl1Bⁱ—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)
O1ⁱ—Tl1A—O8	115.26 (7)	Tl2B^xi—As2—Tl1B	170.96 (15)
O8ⁱ—Tl1A—O8	180.0	O6—As2—Tl2B^vii	81.06 (8)
Tl1Bⁱ—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)
O1ⁱ—Tl1A—O2	128.38 (6)	O8—As2—Tl2B^vii	77.26 (9)
O8ⁱ—Tl1A—O2	112.41 (7)	Tl1Bⁱⁱ—As2—Tl2B^vii	99.31 (18)
O8—Tl1A—O2	67.59 (7)	Tl2A^xi—As2—Tl2B^vii	65.34 (6)
Tl1Bⁱ—Tl1A—O2ⁱ	107.2 (15)	Tl2C^xi—As2—Tl2B^vii	61.21 (17)
O1—Tl1A—O2ⁱ	128.39 (6)	Tl1A^xi—As2—Tl2B^vii	100.41 (4)
O1ⁱ—Tl1A—O2ⁱ	51.61 (6)	Tl2C^vii—As2—Tl2B^vii	6.4 (2)
O8ⁱ—Tl1A—O2ⁱ	67.59 (7)	Tl2B^xi—As2—Tl2B^vii	66.09 (10)
O8—Tl1A—O2ⁱ	112.41 (7)	Tl1B—As2—Tl2B^vii	105.92 (19)
O2—Tl1A—O2ⁱ	180.0	O11—As3—O10	114.60 (11)
Tl1Bⁱ—Tl1A—O7ⁱⁱ	169.8 (17)	O11—As3—O9	114.77 (11)
O1—Tl1A—O7ⁱⁱ	52.66 (6)	O10—As3—O9	107.46 (11)
O1ⁱ—Tl1A—O7ⁱⁱ	127.34 (6)	O11—As3—O12	108.03 (11)
O8ⁱ—Tl1A—O7ⁱⁱ	99.91 (6)	O10—As3—O12	99.57 (10)
O8—Tl1A—O7ⁱⁱ	80.09 (6)	O9—As3—O12	111.41 (11)
O2—Tl1A—O7ⁱⁱ	104.24 (6)	O11—As3—Tl2B^viii	151.04 (8)
O2ⁱ—Tl1A—O7ⁱⁱ	75.76 (6)	O10—As3—Tl2B^viii	56.44 (11)
Tl1Bⁱ—Tl1A—O7ⁱⁱⁱ	10.2 (17)	O9—As3—Tl2B^viii	54.30 (11)
O1—Tl1A—O7ⁱⁱⁱ	127.34 (6)	O12—As3—Tl2B^viii	100.81 (9)
O1ⁱ—Tl1A—O7ⁱⁱⁱ	52.66 (6)	O11—As3—Tl2A^viii	149.26 (9)
O8ⁱ—Tl1A—O7ⁱⁱⁱ	80.09 (6)	O10—As3—Tl2A^viii	55.87 (9)
O8—Tl1A—O7ⁱⁱⁱ	99.91 (6)	O9—As3—Tl2A^viii	54.20 (9)
O2—Tl1A—O7ⁱⁱⁱ	75.76 (6)	O12—As3—Tl2A^viii	102.56 (9)
O2ⁱ—Tl1A—O7ⁱⁱⁱ	104.24 (6)	Tl2B^viii—As3—Tl2A^viii	1.80 (6)
O7ⁱⁱ—Tl1A—O7ⁱⁱⁱ	180.0	O11—As3—Tl2C^viii	148.9 (2)
Tl1Bⁱ—Tl1A—O5ⁱⁱ	143.2 (16)	O10—As3—Tl2C^viii	52.14 (17)
O1—Tl1A—O5ⁱⁱ	83.29 (6)	O9—As3—Tl2C^viii	57.83 (17)
O1ⁱ—Tl1A—O5ⁱⁱ	96.71 (6)	O12—As3—Tl2C^viii	102.3 (2)
O8ⁱ—Tl1A—O5ⁱⁱ	121.76 (6)	Tl2B^viii—As3—Tl2C^viii	4.5 (2)
O8—Tl1A—O5ⁱⁱ	58.24 (6)	Tl2A^viii—As3—Tl2C^viii	3.75 (14)
O2—Tl1A—O5ⁱⁱ	120.71 (6)	O11—As3—Tl1B^iv	84.07 (15)
O2ⁱ—Tl1A—O5ⁱⁱ	59.29 (6)	O10—As3—Tl1B^iv	69.2 (2)
O7ⁱⁱ—Tl1A—O5ⁱⁱ	46.78 (5)	O9—As3—Tl1B^iv	159.27 (14)
O7ⁱⁱⁱ—Tl1A—O5ⁱⁱ	133.22 (5)	O12—As3—Tl1B^iv	51.33 (18)
Tl1Bⁱ—Tl1A—O5ⁱⁱⁱ	36.8 (16)	Tl2B^viii—As3—Tl1B^iv	113.00 (17)
O1—Tl1A—O5ⁱⁱⁱ	96.71 (6)	Tl2A^viii—As3—Tl1B^iv	113.69 (16)
O1ⁱ—Tl1A—O5ⁱⁱⁱ	83.29 (6)	Tl2C^viii—As3—Tl1B^iv	110.6 (2)
O8ⁱ—Tl1A—O5ⁱⁱⁱ	58.24 (6)	O11—As3—Tl1A^xiii	84.12 (8)
O8—Tl1A—O5ⁱⁱⁱ	121.76 (6)	O10—As3—Tl1A^xiii	65.45 (7)
O2—Tl1A—O5ⁱⁱⁱ	59.29 (6)	O9—As3—Tl1A^xiii	160.59 (8)
O2ⁱ—Tl1A—O5ⁱⁱⁱ	120.71 (6)	O12—As3—Tl1A^xiii	55.16 (8)
O7ⁱⁱ—Tl1A—O5ⁱⁱⁱ	133.22 (5)	Tl2B^viii—As3—Tl1A^xiii	111.13 (8)
O7ⁱⁱⁱ—Tl1A—O5ⁱⁱⁱ	46.78 (5)	Tl2A^viii—As3—Tl1A^xiii	111.69 (6)
O5ⁱⁱ—Tl1A—O5ⁱⁱⁱ	180.00 (3)	Tl2C^viii—As3—Tl1A^xiii	108.43 (16)
Tl1Bⁱ—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)
O1ⁱ—Tl1A—O12^iv	122.17 (6)	O10—As3—Tl1B^xiii	61.76 (19)
O8ⁱ—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)
O2ⁱ—Tl1A—O12^iv	91.45 (6)	Tl2A^viii—As3—Tl1B^xiii	109.63 (16)
O7ⁱⁱ—Tl1A—O12^iv	52.68 (5)	Tl2C^viii—As3—Tl1B^xiii	106.3 (2)
O7ⁱⁱⁱ—Tl1A—O12^iv	127.32 (5)	Tl1B^iv—As3—Tl1B^xiii	8.6 (4)
O5ⁱⁱ—Tl1A—O12^iv	98.17 (5)	Tl1A^xiii—As3—Tl1B^xiii	4.27 (18)
O5ⁱⁱⁱ—Tl1A—O12^iv	81.83 (5)	O11—As3—Tl2C^xiii	129.0 (2)
Tl1Bⁱ—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)
O1ⁱ—Tl1A—O12^v	57.83 (6)	O12—As3—Tl2C^xiii	23.7 (2)
O8ⁱ—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)
O2ⁱ—Tl1A—O12^v	88.55 (6)	Tl1B^iv—As3—Tl2C^xiii	54.5 (2)
O7ⁱⁱ—Tl1A—O12^v	127.32 (5)	Tl1A^xiii—As3—Tl2C^xiii	56.81 (16)
O7ⁱⁱⁱ—Tl1A—O12^v	52.68 (5)	Tl1B^xiii—As3—Tl2C^xiii	59.2 (2)
O5ⁱⁱ—Tl1A—O12^v	81.83 (5)	O11—As3—Tl2B^xiii	132.75 (8)
O5ⁱⁱⁱ—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)
Tl1Bⁱ—Tl1A—As1ⁱ	79.9 (15)	O12—As3—Tl2B^xiii	29.66 (8)
O1—Tl1A—As1ⁱ	155.08 (4)	Tl2B^viii—As3—Tl2B^xiii	74.28 (6)
O1ⁱ—Tl1A—As1ⁱ	24.92 (4)	Tl2A^viii—As3—Tl2B^xiii	75.87 (6)
O8ⁱ—Tl1A—As1ⁱ	59.16 (5)	Tl2C^viii—As3—Tl2B^xiii	74.87 (19)
O8—Tl1A—As1ⁱ	120.84 (5)	Tl1B^iv—As3—Tl2B^xiii	54.38 (13)
O2—Tl1A—As1ⁱ	152.70 (4)	Tl1A^xiii—As3—Tl2B^xiii	56.21 (6)
O2ⁱ—Tl1A—As1ⁱ	27.30 (4)	Tl1B^xiii—As3—Tl2B^xiii	58.18 (13)
O7ⁱⁱ—Tl1A—As1ⁱ	102.87 (4)	Tl2C^xiii—As3—Tl2B^xiii	6.2 (2)
O7ⁱⁱⁱ—Tl1A—As1ⁱ	77.13 (4)	As1—O1—Fe2	126.13 (11)
O5ⁱⁱ—Tl1A—As1ⁱ	81.04 (5)	As1—O1—Tl1B	114.3 (3)
O5ⁱⁱⁱ—Tl1A—As1ⁱ	98.96 (5)	Fe2—O1—Tl1B	111.4 (3)
O12^iv—Tl1A—As1ⁱ	105.49 (5)	As1—O1—Tl1A	108.97 (9)
O12^v—Tl1A—As1ⁱ	74.51 (5)	Fe2—O1—Tl1A	117.26 (9)
Tl1Bⁱ—Tl1A—As1	100.1 (15)	Tl1B—O1—Tl1A	5.8 (2)
O1—Tl1A—As1	24.92 (4)	As1—O1—Tl1Bⁱ	104.2 (2)
O1ⁱ—Tl1A—As1	155.08 (4)	Fe2—O1—Tl1Bⁱ	122.4 (2)
O8ⁱ—Tl1A—As1	120.84 (5)	Tl1B—O1—Tl1Bⁱ	11.0 (4)
O8—Tl1A—As1	59.16 (5)	Tl1A—O1—Tl1Bⁱ	5.16 (19)
O2—Tl1A—As1	27.30 (4)	As1—O1—Tl2A	55.90 (7)
O2ⁱ—Tl1A—As1	152.70 (4)	Fe2—O1—Tl2A	135.14 (10)
O7ⁱⁱ—Tl1A—As1	77.13 (4)	Tl1B—O1—Tl2A	61.8 (3)
O7ⁱⁱⁱ—Tl1A—As1	102.87 (4)	Tl1A—O1—Tl2A	57.72 (6)
O5ⁱⁱ—Tl1A—As1	98.96 (5)	Tl1Bⁱ—O1—Tl2A	54.3 (2)
O5ⁱⁱⁱ—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)
As1ⁱ—Tl1A—As1	180.0	Tl1A—O1—Tl2B	60.43 (5)
Tl1Bⁱ—Tl1B—O1	117.4 (14)	Tl1Bⁱ—O1—Tl2B	57.3 (2)
Tl1Bⁱ—Tl1B—O8	101.1 (18)	Tl2A—O1—Tl2B	4.56 (6)
O1—Tl1B—O8	67.8 (3)	As1—O1—Tl2C	56.97 (16)
Tl1Bⁱ—Tl1B—O7ⁱⁱ	168.7 (18)	Fe2—O1—Tl2C	134.8 (2)
O1—Tl1B—O7ⁱⁱ	58.0 (3)	Tl1B—O1—Tl2C	60.8 (3)
O8—Tl1B—O7ⁱⁱ	86.8 (3)	Tl1A—O1—Tl2C	56.75 (17)
Tl1Bⁱ—Tl1B—O1ⁱ	51.6 (15)	Tl1Bⁱ—O1—Tl2C	53.4 (3)
O1—Tl1B—O1ⁱ	169.0 (4)	Tl2A—O1—Tl2C	1.07 (18)
O8—Tl1B—O1ⁱ	112.0 (4)	Tl2B—O1—Tl2C	4.9 (2)
O7ⁱⁱ—Tl1B—O1ⁱ	132.7 (3)	As1—O1—Tl2C^xii	150.86 (17)
Tl1Bⁱ—Tl1B—O2ⁱ	101.5 (16)	Fe2—O1—Tl2C^xii	47.1 (2)
O1—Tl1B—O2ⁱ	139.6 (5)	Tl1B—O1—Tl2C^xii	91.3 (3)
O8—Tl1B—O2ⁱ	117.0 (2)	Tl1A—O1—Tl2C^xii	95.80 (16)
O7ⁱⁱ—Tl1B—O2ⁱ	81.7 (3)	Tl1Bⁱ—O1—Tl2C^xii	99.8 (3)
O1ⁱ—Tl1B—O2ⁱ	51.03 (17)	Tl2A—O1—Tl2C^xii	152.55 (13)
Tl1Bⁱ—Tl1B—O8ⁱ	67.3 (17)	Tl2B—O1—Tl2C^xii	153.67 (13)
O1—Tl1B—O8ⁱ	116.7 (3)	Tl2C—O1—Tl2C^xii	151.5 (3)
O8—Tl1B—O8ⁱ	168.4 (5)	As1—O1—Tl2Aⁱ	151.74 (10)
O7ⁱⁱ—Tl1B—O8ⁱ	104.7 (4)	Fe2—O1—Tl2Aⁱ	81.86 (8)
O1ⁱ—Tl1B—O8ⁱ	61.3 (2)	Tl1B—O1—Tl2Aⁱ	47.4 (3)
O2ⁱ—Tl1B—O8ⁱ	67.3 (2)	Tl1A—O1—Tl2Aⁱ	51.24 (6)
Tl1Bⁱ—Tl1B—O5ⁱⁱ	139.8 (18)	Tl1Bⁱ—O1—Tl2Aⁱ	54.8 (2)
O1—Tl1B—O5ⁱⁱ	91.0 (4)	Tl2A—O1—Tl2Aⁱ	108.96 (6)
O8—Tl1B—O5ⁱⁱ	62.0 (2)	Tl2B—O1—Tl2Aⁱ	111.56 (8)
O7ⁱⁱ—Tl1B—O5ⁱⁱ	51.3 (2)	Tl2C—O1—Tl2Aⁱ	107.99 (18)
O1ⁱ—Tl1B—O5ⁱⁱ	98.6 (2)	Tl2C^xii—O1—Tl2Aⁱ	45.12 (17)
O2ⁱ—Tl1B—O5ⁱⁱ	62.93 (16)	As1—O1—Tl2Cⁱ	153.1 (2)
O8ⁱ—Tl1B—O5ⁱⁱ	126.7 (3)	Fe2—O1—Tl2Cⁱ	80.01 (19)
Tl1Bⁱ—Tl1B—O2	67.4 (14)	Tl1B—O1—Tl2Cⁱ	50.5 (3)
O1—Tl1B—O2	51.18 (14)	Tl1A—O1—Tl2Cⁱ	54.32 (13)
O8—Tl1B—O2	67.03 (19)	Tl1Bⁱ—O1—Tl2Cⁱ	57.9 (3)
O7ⁱⁱ—Tl1B—O2	109.2 (4)	Tl2A—O1—Tl2Cⁱ	112.04 (15)
O1ⁱ—Tl1B—O2	118.1 (4)	Tl2B—O1—Tl2Cⁱ	114.66 (15)
O2ⁱ—Tl1B—O2	168.9 (5)	Tl2C—O1—Tl2Cⁱ	111.07 (16)
O8ⁱ—Tl1B—O2	106.8 (2)	Tl2C^xii—O1—Tl2Cⁱ	42.2 (3)
O5ⁱⁱ—Tl1B—O2	125.3 (3)	Tl2Aⁱ—O1—Tl2Cⁱ	3.11 (12)
Tl1Bⁱ—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)
O7ⁱⁱ—Tl1B—O12^iv	56.4 (2)	As1—O2—Tl2C	122.7 (3)
O1ⁱ—Tl1B—O12^iv	120.7 (3)	Tl2A—O2—Tl2C	1.9 (4)
O2ⁱ—Tl1B—O12^iv	95.5 (3)	Tl2B—O2—Tl2C	8.8 (3)
O8ⁱ—Tl1B—O12^iv	60.63 (19)	As1—O2—Tl1Bⁱ	99.0 (3)
O5ⁱⁱ—Tl1B—O12^iv	106.2 (4)	Tl2A—O2—Tl1Bⁱ	79.2 (2)
O2—Tl1B—O12^iv	89.1 (2)	Tl2B—O2—Tl1Bⁱ	81.3 (2)
Tl1Bⁱ—Tl1B—O7ⁱⁱⁱ	9.3 (16)	Tl2C—O2—Tl1Bⁱ	79.2 (3)
O1—Tl1B—O7ⁱⁱⁱ	121.3 (3)	As1—O2—Tl1A	93.34 (9)
O8—Tl1B—O7ⁱⁱⁱ	94.6 (3)	Tl2A—O2—Tl1A	81.85 (9)
O7ⁱⁱ—Tl1B—O7ⁱⁱⁱ	178.0 (3)	Tl2B—O2—Tl1A	83.31 (8)
O1ⁱ—Tl1B—O7ⁱⁱⁱ	47.9 (2)	Tl2C—O2—Tl1A	81.9 (2)
O2ⁱ—Tl1B—O7ⁱⁱⁱ	98.9 (4)	Tl1Bⁱ—O2—Tl1A	5.7 (3)
O8ⁱ—Tl1B—O7ⁱⁱⁱ	73.9 (3)	As1—O2—Tl1B	88.0 (3)
O5ⁱⁱ—Tl1B—O7ⁱⁱⁱ	130.7 (3)	Tl2A—O2—Tl1B	84.3 (2)
O2—Tl1B—O7ⁱⁱⁱ	70.2 (2)	Tl2B—O2—Tl1B	85.2 (2)
O12^iv—Tl1B—O7ⁱⁱⁱ	121.6 (3)	Tl2C—O2—Tl1B	84.6 (3)
Tl1Bⁱ—Tl1B—As2ⁱⁱ	162.4 (16)	Tl1Bⁱ—O2—Tl1B	11.1 (5)
O1—Tl1B—As2ⁱⁱ	79.5 (4)	Tl1A—O2—Tl1B	5.4 (3)
O8—Tl1B—As2ⁱⁱ	80.1 (3)	As1—O2—Tl2B^vi	71.06 (10)
O7ⁱⁱ—Tl1B—As2ⁱⁱ	26.69 (11)	Tl2A—O2—Tl2B^vi	109.95 (13)
O1ⁱ—Tl1B—As2ⁱⁱ	111.5 (2)	Tl2B—O2—Tl2B^vi	107.08 (11)
O2ⁱ—Tl1B—As2ⁱⁱ	63.25 (18)	Tl2C—O2—Tl2B^vi	110.3 (3)
O8ⁱ—Tl1B—As2ⁱⁱ	110.9 (3)	Tl1Bⁱ—O2—Tl2B^vi	168.9 (3)
O5ⁱⁱ—Tl1B—As2ⁱⁱ	26.86 (11)	Tl1A—O2—Tl2B^vi	163.67 (10)
O2—Tl1B—As2ⁱⁱ	127.7 (4)	Tl1B—O2—Tl2B^vi	158.5 (3)
O12^iv—Tl1B—As2ⁱⁱ	79.4 (3)	As1—O2—Tl2A^vi	67.86 (10)
O7ⁱⁱⁱ—Tl1B—As2ⁱⁱ	155.0 (3)	Tl2A—O2—Tl2A^vi	107.71 (11)
Tl1Bⁱ—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)	Tl1Bⁱ—O2—Tl2A^vi	166.9 (3)
O7ⁱⁱ—Tl1B—As1	81.8 (3)	Tl1A—O2—Tl2A^vi	161.19 (9)
O1ⁱ—Tl1B—As1	145.5 (4)	Tl1B—O2—Tl2A^vi	155.8 (3)
O2ⁱ—Tl1B—As1	163.4 (5)	Tl2B^vi—O2—Tl2A^vi	5.22 (6)
O8ⁱ—Tl1B—As1	119.0 (2)	As1—O2—Tl2C^vi	65.1 (2)
O5ⁱⁱ—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)
O7ⁱⁱⁱ—Tl1B—As1	97.7 (2)	Tl1Bⁱ—O2—Tl2C^vi	163.8 (3)
As2ⁱⁱ—Tl1B—As1	100.6 (3)	Tl1A—O2—Tl2C^vi	158.2 (2)
Tl1Bⁱ—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)
O7ⁱⁱ—Tl1B—O12^v	132.8 (3)	As1—O2—H2	113 (3)
O1ⁱ—Tl1B—O12^v	54.7 (2)	Tl2A—O2—H2	111 (3)
O2ⁱ—Tl1B—O12^v	87.0 (3)	Tl2B—O2—H2	114 (3)
O8ⁱ—Tl1B—O12^v	112.6 (4)	Tl2C—O2—H2	109 (3)
O5ⁱⁱ—Tl1B—O12^v	82.9 (2)	Tl1Bⁱ—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)
O7ⁱⁱⁱ—Tl1B—O12^v	49.2 (2)	Tl2B^vi—O2—H2	52 (3)
As2ⁱⁱ—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)
Tl1Bⁱ—Tl1B—O5ⁱⁱⁱ	33.9 (14)	As1—O3—Fe2^iv	131.25 (12)
O1—Tl1B—O5ⁱⁱⁱ	93.69 (19)	As1—O3—Tl2C^vi	112.9 (3)
O8—Tl1B—O5ⁱⁱⁱ	116.0 (3)	Fe2^iv—O3—Tl2C^vi	110.1 (3)
O7ⁱⁱ—Tl1B—O5ⁱⁱⁱ	135.1 (3)	As1—O3—Tl2B^vi	109.61 (14)
O1ⁱ—Tl1B—O5ⁱⁱⁱ	76.4 (3)	Fe2^iv—O3—Tl2B^vi	108.65 (11)
O2ⁱ—Tl1B—O5ⁱⁱⁱ	115.3 (3)	Tl2C^vi—O3—Tl2B^vi	10.1 (4)
O8ⁱ—Tl1B—O5ⁱⁱⁱ	54.44 (17)	As1—O3—Tl2A^vi	107.96 (12)
O5ⁱⁱ—Tl1B—O5ⁱⁱⁱ	173.6 (5)	Fe2^iv—O3—Tl2A^vi	113.66 (11)
O2—Tl1B—O5ⁱⁱⁱ	55.60 (15)	Tl2C^vi—O3—Tl2A^vi	5.4 (2)
O12^iv—Tl1B—O5ⁱⁱⁱ	79.93 (17)	Tl2B^vi—O3—Tl2A^vi	7.66 (10)
O7ⁱⁱⁱ—Tl1B—O5ⁱⁱⁱ	42.95 (15)	As1—O3—Tl1B^iv	135.47 (14)
As2ⁱⁱ—Tl1B—O5ⁱⁱⁱ	159.0 (4)	Fe2^iv—O3—Tl1B^iv	55.10 (13)
As1—Tl1B—O5ⁱⁱⁱ	78.19 (14)	Tl2C^vi—O3—Tl1B^iv	98.4 (3)
O12^v—Tl1B—O5ⁱⁱⁱ	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—O6ⁱⁱⁱ	84.49 (12)	As1—O3—Tl2C^xiii	134.1 (2)
O2—Tl2A—O6ⁱⁱⁱ	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)
O6ⁱⁱⁱ—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)
O6ⁱⁱⁱ—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—O7ⁱⁱⁱ	124.09 (17)	Tl2B^vi—O3—Tl2A^xiii	62.88 (9)
O2—Tl2A—O7ⁱⁱⁱ	80.54 (12)	Tl2A^vi—O3—Tl2A^xiii	58.48 (13)
O6ⁱⁱⁱ—Tl2A—O7ⁱⁱⁱ	50.58 (9)	Tl1B^iv—O3—Tl2A^xiii	47.62 (12)
O12^v—Tl2A—O7ⁱⁱⁱ	57.75 (9)	Tl2C^xiii—O3—Tl2A^xiii	2.89 (14)
O8—Tl2A—O7ⁱⁱⁱ	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)
O6ⁱⁱⁱ—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)
O7ⁱⁱⁱ—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)
O6ⁱⁱⁱ—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)
O7ⁱⁱⁱ—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)
O6ⁱⁱⁱ—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)
O7ⁱⁱⁱ—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)
O6ⁱⁱⁱ—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)
O7ⁱⁱⁱ—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)
O6ⁱⁱⁱ—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)
O7ⁱⁱⁱ—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)
O6ⁱⁱⁱ—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)
O7ⁱⁱⁱ—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—As2ⁱⁱⁱ	107.80 (14)	Tl2C^vi—O4—Tl2A	99.3 (2)
O2—Tl2A—As2ⁱⁱⁱ	64.63 (10)	As1—O4—Tl2B^vi	72.21 (9)
O6ⁱⁱⁱ—Tl2A—As2ⁱⁱⁱ	25.22 (6)	Fe1—O4—Tl2B^vi	103.35 (9)
O12^v—Tl2A—As2ⁱⁱⁱ	84.29 (12)	Tl2B—O4—Tl2B^vi	95.21 (11)
O8—Tl2A—As2ⁱⁱⁱ	111.92 (11)	Tl2A^vi—O4—Tl2B^vi	5.28 (8)
O7ⁱⁱⁱ—Tl2A—As2ⁱⁱⁱ	26.59 (5)	Tl2C^vi—O4—Tl2B^vi	7.2 (3)
O7^vii—Tl2A—As2ⁱⁱⁱ	113.46 (13)	Tl2A—O4—Tl2B^vi	92.62 (11)
O9^viii—Tl2A—As2ⁱⁱⁱ	145.94 (11)	As1—O4—Tl2C	86.4 (3)
O10^viii—Tl2A—As2ⁱⁱⁱ	155.68 (13)	Fe1—O4—Tl2C	106.8 (2)
O12^vi—Tl2A—As2ⁱⁱⁱ	68.51 (9)	Tl2B—O4—Tl2C	3.7 (3)
As1^vi—Tl2A—As2ⁱⁱⁱ	97.41 (10)	Tl2A^vi—O4—Tl2C	95.8 (2)
O4^vi—Tl2A—As2ⁱⁱⁱ	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)
O6ⁱⁱⁱ—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)
O7ⁱⁱⁱ—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)
As2ⁱⁱⁱ—Tl2A—O4	109.33 (10)	Tl2B—O4—Tl1A	58.81 (5)
O3^vi—Tl2A—Tl1Bⁱ	161.45 (17)	Tl2A^vi—O4—Tl1A	117.68 (9)
O2—Tl2A—Tl1Bⁱ	53.76 (17)	Tl2C^vi—O4—Tl1A	118.5 (3)
O6ⁱⁱⁱ—Tl2A—Tl1Bⁱ	79.28 (18)	Tl2A—O4—Tl1A	55.77 (6)
O12^v—Tl2A—Tl1Bⁱ	59.60 (16)	Tl2B^vi—O4—Tl1A	112.41 (7)
O8—Tl2A—Tl1Bⁱ	53.9 (2)	Tl2C—O4—Tl1A	56.96 (19)
O7ⁱⁱⁱ—Tl2A—Tl1Bⁱ	49.1 (2)	Tl1B—O4—Tl1A	4.04 (18)
O7^vii—Tl2A—Tl1Bⁱ	143.0 (2)	As1—O4—Tl1Bⁱ	49.42 (13)
O9^viii—Tl2A—Tl1Bⁱ	116.1 (2)	Fe1—O4—Tl1Bⁱ	141.78 (14)
O10^viii—Tl2A—Tl1Bⁱ	145.3 (2)	Tl2B—O4—Tl1Bⁱ	55.70 (18)
O12^vi—Tl2A—Tl1Bⁱ	124.9 (2)	Tl2A^vi—O4—Tl1Bⁱ	114.90 (14)
As1^vi—Tl2A—Tl1Bⁱ	137.33 (16)	Tl2C^vi—O4—Tl1Bⁱ	115.9 (3)
O4^vi—Tl2A—Tl1Bⁱ	114.80 (15)	Tl2A—O4—Tl1Bⁱ	52.46 (19)
As2ⁱⁱⁱ—Tl2A—Tl1Bⁱ	58.25 (19)	Tl2B^vi—O4—Tl1Bⁱ	109.66 (13)
O4—Tl2A—Tl1Bⁱ	75.5 (2)	Tl2C—O4—Tl1Bⁱ	53.7 (3)
O3^vi—Tl2B—O8	149.22 (12)	Tl1B—O4—Tl1Bⁱ	7.9 (3)
O3^vi—Tl2B—O2	108.16 (12)	Tl1A—O4—Tl1Bⁱ	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—Tl1Bⁱⁱ	90.4 (3)
O8—Tl2B—O12^v	68.56 (8)	Fe2—O5—Tl1Bⁱⁱ	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)	Tl1Bⁱⁱ—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)	Tl1Bⁱⁱ—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)	Tl1Bⁱⁱ—O5—Tl1B	131.69 (18)
O3^vi—Tl2B—O6ⁱⁱⁱ	78.90 (8)	Tl1A^xi—O5—Tl1B	133.51 (11)
O8—Tl2B—O6ⁱⁱⁱ	122.70 (14)	Tl1B^xi—O5—Tl1B	135.0 (2)
O2—Tl2B—O6ⁱⁱⁱ	58.07 (8)	As2—O5—Tl1A	78.54 (8)
O12^v—Tl2B—O6ⁱⁱⁱ	98.30 (9)	Fe2—O5—Tl1A	69.75 (6)
O9^viii—Tl2B—O6ⁱⁱⁱ	126.44 (12)	Tl1Bⁱⁱ—O5—Tl1A	133.1 (2)
O10^viii—Tl2B—O6ⁱⁱⁱ	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)	Tl1Bⁱⁱ—O5—Tl2A^xi	54.9 (2)
O10^viii—Tl2B—O7^vii	48.95 (8)	Tl1A^xi—O5—Tl2A^xi	56.74 (6)
O6ⁱⁱⁱ—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—Tl1Bⁱ	76.70 (17)
O12^v—Tl2B—O4	119.12 (12)	Fe2—O5—Tl1Bⁱ	70.94 (16)
O9^viii—Tl2B—O4	46.87 (8)	Tl1Bⁱⁱ—O5—Tl1Bⁱ	134.2 (3)
O10^viii—Tl2B—O4	95.76 (9)	Tl1A^xi—O5—Tl1Bⁱ	136.33 (10)
O6ⁱⁱⁱ—Tl2B—O4	101.98 (13)	Tl1B^xi—O5—Tl1Bⁱ	138.05 (15)
O7^vii—Tl2B—O4	144.05 (8)	Tl1B—O5—Tl1Bⁱ	5.1 (3)
O3^vi—Tl2B—As1^vi	25.50 (5)	Tl1A—O5—Tl1Bⁱ	2.40 (13)
O8—Tl2B—As1^vi	135.81 (15)	Tl2A^xi—O5—Tl1Bⁱ	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)	Tl1Bⁱⁱ—O5—Tl2C^xi	56.2 (3)
O10^viii—Tl2B—As1^vi	70.68 (6)	Tl1A^xi—O5—Tl2C^xi	58.14 (17)
O6ⁱⁱⁱ—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—O7ⁱⁱⁱ	114.48 (10)	Tl2A^xi—O5—Tl2C^xi	3.08 (18)
O8—Tl2B—O7ⁱⁱⁱ	95.62 (9)	Tl1Bⁱ—O5—Tl2C^xi	123.3 (2)
O2—Tl2B—O7ⁱⁱⁱ	73.45 (8)	As2—O5—Tl2B^xi	51.91 (8)
O12^v—Tl2B—O7ⁱⁱⁱ	53.44 (7)	Fe2—O5—Tl2B^xi	156.29 (10)
O9^viii—Tl2B—O7ⁱⁱⁱ	162.11 (18)	Tl1Bⁱⁱ—O5—Tl2B^xi	53.55 (19)
O10^viii—Tl2B—O7ⁱⁱⁱ	148.46 (17)	Tl1A^xi—O5—Tl2B^xi	55.28 (5)
O6ⁱⁱⁱ—Tl2B—O7ⁱⁱⁱ	45.34 (6)	Tl1B^xi—O5—Tl2B^xi	56.85 (17)
O7^vii—Tl2B—O7ⁱⁱⁱ	100.05 (12)	Tl1B—O5—Tl2B^xi	132.05 (19)
O4—Tl2B—O7ⁱⁱⁱ	115.66 (12)	Tl1A—O5—Tl2B^xi	130.19 (7)
As1^vi—Tl2B—O7ⁱⁱⁱ	113.00 (6)	Tl2A^xi—O5—Tl2B^xi	2.14 (10)
O3^vi—Tl2B—O4^vi	44.76 (7)	Tl1Bⁱ—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)
O6ⁱⁱⁱ—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)
O7ⁱⁱⁱ—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)
O6ⁱⁱⁱ—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)
O7ⁱⁱⁱ—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)
O6ⁱⁱⁱ—Tl2B—O2^vi	84.25 (9)	Tl2B^vii—O6—Tl2A^vii	4.97 (7)
O7^vii—Tl2B—O2^vi	95.15 (8)	As2—O6—Tl1Bⁱⁱ	55.67 (16)
O4—Tl2B—O2^vi	59.71 (8)	Fe1—O6—Tl1Bⁱⁱ	138.50 (18)
As1^vi—Tl2B—O2^vi	26.23 (4)	Tl2A^xi—O6—Tl1Bⁱⁱ	59.44 (15)
O7ⁱⁱⁱ—Tl2B—O2^vi	129.04 (9)	Tl2C^xi—O6—Tl1Bⁱⁱ	62.4 (3)
O4^vi—Tl2B—O2^vi	40.95 (6)	Tl2B^xi—O6—Tl1Bⁱⁱ	60.96 (14)
O12^vi—Tl2B—O2^vi	83.38 (7)	Tl2C^vii—O6—Tl1Bⁱⁱ	85.3 (2)
O3^vi—Tl2B—As3^viii	66.57 (6)	Tl2B^vii—O6—Tl1Bⁱⁱ	88.46 (17)
O8—Tl2B—As3^viii	84.53 (8)	Tl2A^vii—O6—Tl1Bⁱⁱ	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)
O6ⁱⁱⁱ—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)
O7ⁱⁱⁱ—Tl2B—As3^viii	172.07 (14)	Tl1Bⁱⁱ—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—O6ⁱⁱⁱ	85.5 (4)	Tl2B^xi—O6—Tl1A^xi	59.90 (7)
O12^v—Tl2C—O6ⁱⁱⁱ	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)
O6ⁱⁱⁱ—Tl2C—O2	60.2 (3)	Tl1Bⁱⁱ—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)
O6ⁱⁱⁱ—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)
O6ⁱⁱⁱ—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—O7ⁱⁱⁱ	128.4 (6)	Tl1Bⁱⁱ—O6—Tl2A	128.38 (17)
O12^v—Tl2C—O7ⁱⁱⁱ	58.8 (3)	Tl2B—O6—Tl2A	2.59 (8)
O6ⁱⁱⁱ—Tl2C—O7ⁱⁱⁱ	50.6 (3)	Tl1A^xi—O6—Tl2A	130.56 (6)
O2—Tl2C—O7ⁱⁱⁱ	77.4 (3)	As2—O7—Fe2ⁱⁱ	122.44 (11)
O7^vii—Tl2C—O7ⁱⁱⁱ	112.3 (4)	As2—O7—Tl1Bⁱⁱ	99.60 (17)
O8—Tl2C—O7ⁱⁱⁱ	96.7 (3)	Fe2ⁱⁱ—O7—Tl1Bⁱⁱ	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)	Fe2ⁱⁱ—O7—Tl2C^vii	94.7 (3)
O6ⁱⁱⁱ—Tl2C—O12^vi	56.8 (3)	Tl1Bⁱⁱ—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)	Fe2ⁱⁱ—O7—Tl2C^xi	145.3 (3)
O8—Tl2C—O12^vi	176.4 (5)	Tl1Bⁱⁱ—O7—Tl2C^xi	77.4 (3)
O7ⁱⁱⁱ—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)	Fe2ⁱⁱ—O7—Tl1A^xi	97.82 (8)
O6ⁱⁱⁱ—Tl2C—O10^viii	137.8 (4)	Tl1Bⁱⁱ—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)
O7ⁱⁱⁱ—Tl2C—O10^viii	159.0 (4)	Fe2ⁱⁱ—O7—Tl2A^xi	147.47 (11)
O12^vi—Tl2C—O10^viii	91.7 (3)	Tl1Bⁱⁱ—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)
O6ⁱⁱⁱ—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)	Fe2ⁱⁱ—O7—Tl2B^vii	89.65 (8)
O8—Tl2C—O9^viii	66.3 (3)	Tl1Bⁱⁱ—O7—Tl2B^vii	141.32 (19)
O7ⁱⁱⁱ—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)
O6ⁱⁱⁱ—Tl2C—Tl2C^ix	75.3 (6)	Fe2ⁱⁱ—O7—Tl2A^vii	92.84 (10)
O2—Tl2C—Tl2C^ix	128.9 (8)	Tl1Bⁱⁱ—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)
O7ⁱⁱⁱ—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)	Fe2ⁱⁱ—O7—Tl1B^xi	97.73 (15)
O12^v—Tl2C—As1^vi	169.5 (4)	Tl1Bⁱⁱ—O7—Tl1B^xi	2.0 (3)
O6ⁱⁱⁱ—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)
O7ⁱⁱⁱ—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)	Fe2ⁱⁱ—O7—Tl2B^xi	144.92 (10)
Tl2C^ix—Tl2C—As1^vi	108.7 (5)	Tl1Bⁱⁱ—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)
O6ⁱⁱⁱ—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)
O7ⁱⁱⁱ—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)	Fe2ⁱⁱ—O7—Tl1B	69.77 (11)
O9^viii—Tl2C—O4^vi	80.4 (3)	Tl1Bⁱⁱ—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—As2ⁱⁱⁱ	109.1 (5)	Tl1A^xi—O7—Tl1B	114.21 (18)
O12^v—Tl2C—As2ⁱⁱⁱ	84.9 (4)	Tl2A^xi—O7—Tl1B	142.66 (12)
O6ⁱⁱⁱ—Tl2C—As2ⁱⁱⁱ	25.01 (15)	Tl2B^vii—O7—Tl1B	105.03 (18)
O2—Tl2C—As2ⁱⁱⁱ	62.3 (3)	Tl2A^vii—O7—Tl1B	111.1 (2)
O7^vii—Tl2C—As2ⁱⁱⁱ	119.1 (4)	Tl1B^xi—O7—Tl1B	115.0 (3)
O8—Tl2C—As2ⁱⁱⁱ	107.4 (3)	Tl2B^xi—O7—Tl1B	145.27 (11)
O7ⁱⁱⁱ—Tl2C—As2ⁱⁱⁱ	26.34 (14)	As2—O8—Tl2B	140.00 (13)
O12^vi—Tl2C—As2ⁱⁱⁱ	70.0 (3)	As2—O8—Tl1B	122.2 (3)
O10^viii—Tl2C—As2ⁱⁱⁱ	160.7 (4)	Tl2B—O8—Tl1B	92.5 (3)
O9^viii—Tl2C—As2ⁱⁱⁱ	139.2 (4)	As2—O8—Tl2A	145.64 (14)
Tl2C^ix—Tl2C—As2ⁱⁱⁱ	66.7 (5)	Tl2B—O8—Tl2A	6.34 (9)
As1^vi—Tl2C—As2ⁱⁱⁱ	96.6 (4)	Tl1B—O8—Tl2A	86.2 (3)
O4^vi—Tl2C—As2ⁱⁱⁱ	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)
O6ⁱⁱⁱ—Tl2C—Tl2A^ix	77.0 (3)	Tl2A—O8—Tl1A	80.39 (10)
O2—Tl2C—Tl2A^ix	131.1 (5)	As2—O8—Tl1Bⁱ	133.6 (3)
O7^vii—Tl2C—Tl2A^ix	55.8 (2)	Tl2B—O8—Tl1Bⁱ	81.3 (2)
O8—Tl2C—Tl2A^ix	128.8 (3)	Tl1B—O8—Tl1Bⁱ	11.6 (5)
O7ⁱⁱⁱ—Tl2C—Tl2A^ix	56.5 (2)	Tl2A—O8—Tl1Bⁱ	74.9 (3)
O12^vi—Tl2C—Tl2A^ix	48.24 (18)	Tl1A—O8—Tl1Bⁱ	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)
As2ⁱⁱⁱ—Tl2C—Tl2A^ix	68.9 (2)	Tl1Bⁱ—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	Tl1Bⁱ—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)	Tl1Bⁱ—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)	Tl1Bⁱ—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)	Tl1Bⁱ—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—O7ⁱⁱ	94.10 (9)	Tl2B^viii—O9—Tl2C^vi	110.09 (17)
O11—Fe2—O7ⁱⁱ	169.50 (9)	Tl2A^viii—O9—Tl2C^vi	112.86 (18)
O1—Fe2—O7ⁱⁱ	87.58 (9)	Tl2C^viii—O9—Tl2C^vi	112.9 (3)
O10^x—Fe2—O7ⁱⁱ	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)
O7ⁱⁱ—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)
O7ⁱⁱ—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)
O7ⁱⁱ—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)
O7ⁱⁱ—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)
O7ⁱⁱ—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)
O7ⁱⁱ—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—Tl1Bⁱ	84.53 (14)	Tl2A^viii—O10—Tl2B^xiii	84.87 (9)
O11—Fe2—Tl1Bⁱ	129.48 (12)	Tl1B^xiii—O10—Tl2B^xiii	63.04 (16)
O1—Fe2—Tl1Bⁱ	35.47 (11)	Tl1A^xiii—O10—Tl2B^xiii	60.05 (6)
O10^x—Fe2—Tl1Bⁱ	138.92 (11)	Tl1B^iv—O10—Tl2B^xiii	57.31 (15)
O7ⁱⁱ—Fe2—Tl1Bⁱ	55.08 (13)	As3—O10—Tl2A^xiii	81.21 (9)
O3^iv—Fe2—Tl1Bⁱ	98.53 (14)	Fe2^x—O10—Tl2A^xiii	142.78 (10)
Tl1B—Fe2—Tl1Bⁱ	4.8 (2)	Tl2B^viii—O10—Tl2A^xiii	86.56 (9)
Tl2C^xii—Fe2—Tl1Bⁱ	97.2 (3)	Tl2C^viii—O10—Tl2A^xiii	89.2 (2)
Tl2B^xii—Fe2—Tl1Bⁱ	104.14 (15)	Tl2A^viii—O10—Tl2A^xiii	89.05 (10)
Tl2A^xii—Fe2—Tl1Bⁱ	100.08 (15)	Tl1B^xiii—O10—Tl2A^xiii	59.95 (17)
Tl1A—Fe2—Tl1Bⁱ	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—Tl1Bⁱ	111.38 (17)	As3—O12—Tl2B^xiii	134.29 (12)
O1—As1—Tl1Bⁱ	50.7 (2)	Tl2C^xiii—O12—Tl2B^xiii	8.8 (3)
O3—As1—Tl1Bⁱ	140.23 (15)	Tl2A^xiii—O12—Tl2B^xiii	6.95 (9)
O2—As1—Tl1Bⁱ	54.5 (2)	As3—O12—Tl2C^vi	136.8 (2)
Tl2B^vi—As1—Tl1Bⁱ	137.0 (2)	Tl2C^xiii—O12—Tl2C^vi	69.0 (4)
Tl2A^vi—As1—Tl1Bⁱ	141.1 (2)	Tl2A^xiii—O12—Tl2C^vi	73.2 (2)
Tl1B—As1—Tl1Bⁱ	9.8 (4)	Tl2B^xiii—O12—Tl2C^vi	77.4 (2)
Tl2C^vi—As1—Tl1Bⁱ	144.4 (3)	As3—O12—Tl1B^iv	105.94 (19)
Tl1A—As1—Tl1Bⁱ	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)
Tl1Bⁱ—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)
Tl1Bⁱ—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—Tl1Bⁱⁱ	102.43 (17)	Tl2B^xiii—O12—Tl2B^vi	81.46 (12)
O5—As2—Tl1Bⁱⁱ	62.73 (19)	Tl2C^vi—O12—Tl2B^vi	4.5 (2)
O7—As2—Tl1Bⁱⁱ	53.70 (19)	Tl1B^iv—O12—Tl2B^vi	111.1 (2)
O8—As2—Tl1Bⁱⁱ	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)
Tl1Bⁱⁱ—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)
Tl1Bⁱⁱ—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)
Tl1Bⁱⁱ—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)
Tl1Bⁱⁱ—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)
Tl1Bⁱⁱ—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) top

D—H···A	D—H	H···A	D···A	D—H···A
O2—H2···O9ⁱⁱⁱ	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.

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) top

(NH₄)Fe(HPO₄)₂ type (P1, Z = 3)
	a (Å)	b (Å)	c (Å)	α (°)	β (°)	γ (°)	V (Å³)
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)(Al_0.64Ga_0.36)^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)₂ⁱ	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 (R3c, 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)₂ⁿ	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 I1; (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).

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