KInAs2O7, a new diarsenate with the TlInAs2O7 structure type

Schwendtner, K.; Kolitsch, U.

doi:10.1107/S2056989017011318

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Volume 73| Part 9| September 2017| Pages 1294-1297

https://doi.org/10.1107/S2056989017011318

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KInAs₂O₇, a new diarsenate with the TlInAs₂O₇ structure type

Karolina Schwendtner ^a ^* and Uwe Kolitsch ^b

^aTU Wien, Institute for Chemical Technology and Analytics, Division of Structural Chemistry, Getreidemarkt 9/164-SC, 1060 Wien, Austria, and ^bNaturhistorisches Museum Wien, Burgring 7, 1010 Wien, and Universität Wien, Institut für Mineralogie und Kristallographie, Althanstrasse 14, 1090 Wien, Austria
^*Correspondence e-mail: karolina.schwendtner@tuwien.ac.at

Edited by S. Parkin, University of Kentucky, USA (Received 11 July 2017; accepted 1 August 2017; online 4 August 2017)

Potassium indium diarsenate(V) was grown under mild hydrothermal conditions (T = 493 K, 7 d) at a pH value of about 1. It adopts the TlInAs₂O₇ structure type (P-1, Z = 4) and is closely related to the KAlP₂O₇ (P2₁/c) and RbAlAs₂O₇ (P-1) structure types. The framework topology of KInAs₂O₇ is built of two symmetrically non-equivalent As₂O₇ groups which share corners with InO₆ octahedra. The K atoms are located in channels extending along [010].

Keywords: crystal structure; KInAs₂O₇; diarsenate.

CCDC reference: 1565954

1. Chemical context

Metal arsenates often form tetrahedral–octahedral framework structures exhibiting potentially interesting properties, such as ion conductivity, ion exchange and catalytic properties (Masquelier et al., 1990 , 1994a ,b , 1995 , 1996 , 1998 ; Mesa et al., 2000 ; Ouerfelli et al., 2007a , 2008 ; Pintard-Scrépel et al., 1983 ; Rousse et al., 2013 ). During a detailed study of the system M⁺–M³⁺–As–O–(H) by hydrothermal syntheses, a large variety of new compounds and structure types were found (Kolitsch, 2004 ; Schwendtner, 2006 ; Schwendtner & Kolitsch, 2004a ,b , 2005 , 2007a ,b ,c ,d , 2017a ,b ). KInAs₂O₇ is another example of a microporous metal diarsenate compound forming a tetrahedral–octahedral framework structure.

M⁺M³⁺As₂O₇ compounds crystallize in six known structure types (for a short review, see: Schwendtner & Kolitsch, 2017b), some of these diarsenates being also isotypic to diphosphates or disilicates. For several of the structures, the M⁺ cation is the relevant factor that determines which structure type is adopted, while a wide range of different M³⁺ cations are usually accepted. For example, the CaZrSi₂O₇ structure type (mineral gittinsite; Roelofsen-Ahl & Peterson, 1989 ) is formed by all Li members (and one Na member), with M³⁺ cations ranging from M = Al, Ga, Fe to Sc (Schwendtner & Kolitsch, 2007d; Wang et al., 1994 ). The intermediate-sized M⁺ cations Ag⁺ and Na⁺ generally form either of two structure types, the NaInAs₂O₇ type (Belam et al., 1997 ) or the NaAlAs₂O₇ type (Driss & Jouini, 1994 ). While the former is only known from the comparatively large M³⁺ cation In³⁺ (Belam et al., 1997, ICDD-PDF 059-0058; Wohlschlaeger et al., 2007 ), the latter is adopted by the smaller M³⁺ representatives (M = Al, Fe, Ga) (Ouerfelli et al., 2004 ; Schwendtner & Kolitsch, 2017b). The larger M⁺ cations (M = K, Rb, Cs, Tl, NH₄) favour three structure types, the stabilities of which seem to be determined mainly by the M³⁺ cations. While the RbAlAs₂O₇ type (Boughzala et al., 1993 ) is favoured by the smaller cations Al³⁺, Ga³⁺, Cr³⁺ and Fe³⁺ (Boughzala & Jouini, 1992 , 1995 ; Bouhassine & Boughzala, 2017 ; Lin & Lii, 1996 ; Siegfried et al., 2004 ; Ouerfelli et al., 2007a), the KAlP₂O₇ type (Ng & Calvo, 1973 ), which is extremely common among M⁺M³⁺P₂O₇ compounds, is favoured by the somewhat larger Sc³⁺ cation (Baran et al., 2006 ; Kolitsch, 2004; Schwendtner & Kolitsch, 2004a) and the CsCr member CsCrAs₂O₇ (Bouhassine & Boughzala, 2015 ). The third type, TlInAs₂O₇, is very closely related to the two former types and favoured by the large In³⁺ cation (Schwendtner, 2006), with also one Fe member (KFeAs₂O₇; Ouerfelli et al., 2007b ). The title compound, KInAs₂O₇, is a new member of the latter structure type.

2. Structural commentary

KInAs₂O₇ crystallizes in space group P $[\overline{1}]$ and adopts the TlInAs₂O₇ structure type (Schwendtner, 2006), which is also known for RbInAs₂O₇ and NH₄InAs₂O₇ (Schwendtner, 2006) and KFeAs₂O₇ (Ouerfelli et al., 2007b) (see comparison in Table 1).

Table 1
Comparison of the unit-cell parameters of diarsenates isotypic with KInAs₂O₇ and closely related structure types

Compound	a (Å)	b (Å)	c (Å)	α (°)	β (°)	γ (°)	V (Å³)
TlInAs₂O₇ type¹
KInAs₂O₇	7.712 (2)	8.554 (2)	10.461 (2)	88.58 (3)	89.82 (3)	73.97 (3)	663.1 (3)
RbInAs₂O₇¹	7.845 (2)	8.678 (2)	10.492 (2)	88.85 (3)	89.93 (3)	74.38 (3)	687.5 (3)
TlInAs₂O₇¹	7.827 (2)	8.625 (2)	10.494 (2)	88.83 (3)	89.98 (3)	74.31 (3)	682.1 (3)
(NH₄)InAs₂O₇¹	7.858 (2)	8.649 (2)	10.515 (2)	88.96 (3)	89.94 (3)	74.34 (3)	688.0 (3)
KFeAs₂O₇²	7.662 (1)	8.402 (2)	10.100 (3)	89.58 (3)	89.74 (2)	73.61 (2)	623.8 (3)
KAlP₂O₇ type³
RbScAs₂O₇⁴	7.837 (2)	10.625 (2)	8.778 (2)	90.00	106.45 (3)	90.00	701.0 (3)
TlScAs₂O₇⁵	7.814 (2)	10.613 (2)	8.726 (2)	90.00	106.31 (3)	90.00	694.5 (3)
CsCrAs₂O₇⁶	7.908 (1)	10.0806 (10)	8.6371 (10)	90.00	105.841 (1)	90.00	662.38 (13)
(NH₄)ScAs₂O₇⁷	7.842 (2)	10.656 (2)	8.765 (2)	90.00	106.81 (3)	90.00	701.1 (3)
RbAlAs₂O₇ type⁸
KGaAs₂O₇⁹	6.271 (1)	6.376 (1)	8.169 (1)	96.45 (1)	103.86 (1)	103.87 (1)	302.84 (8)
KAlAs₂O₇¹⁰	6.192 (4)	6.297 (3)	8.106 (1)	96.600 (8)	104.517 (8)	102.864 (7)	293.4
RbAlAs₂O₇⁸	6.241 (5)	6.34 (2)	8.233 (5)	96.7 (1)	103.89 (7)	102.6 (1)	303.9
CsAlAs₂O₇¹¹	6.494 (8)	6.709 (7)	8.360 (8)	97.07 (9)	103.23 (9)	102.62 (8)	340.4
TlAlAs₂O₇¹¹	6.267 (4)	6.324 (4)	8.168 (8)	97.07 (7)	103.83 (8)	102.99 (8)	300.9
KCr_0.25Al_0.75 As₂O₇¹²	6.243 (3)	6.349 (3)	8.153 (4)	96.57 (2)	104.45 (3)	103.08 (4)	299.8 (8)
TlFe_0.22Al_0.78As₂O₇¹³	6.296 (2)	6.397 (2)	8.242 (2)	96.74 (2)	103.78 (2)	102.99 (3)	309.0 (2)
KCrAs₂O₇¹⁴	6.316 (1)	6.420 (1)	8.179 (2)	96.29 (3)	104.27 (3)	103.66 (3)	307.4 (1)
Notes: (1) Schwendtner (2006), P $[\overline{1}]$ , Z = 4; (2) Ouerfelli et al. (2007b), transformed to reduced cell; (3) Ng & Calvo (1973), P2₁/c, Z = 4; (4) Schwendtner & Kolitsch (2004a); (5) Baran et al. (2006); (6) Bouhassine & Boughzala (2015); (7) Kolitsch (2004); (8) Boughzala et al. (1993), P $[\overline{1}]$ , Z = 2, transformed to reduced cell; (9) Lin & Lii (1996); (10) Boughzala & Jouini (1995); (11) Boughzala & Jouini (1992), transformed to reduced cell; (12) Bouhassine & Boughzala (2017); (13) Ouerfelli et al. (2007a); (14) Siegfried et al. (2004).

The asymmetric unit contains 22 atoms, all of which lie on general positions. Each InO₆ octahedron shares corners with five different AsO₄ tetrahedra, thus creating a framework structure. Two of these connections are to two AsO₄ tetrahedra of the same As₂O₇ group (see Fig. 1). The K⁺ cations are situated in small channels extending along [010] (see Fig. 2) and have irregular coordination spheres, with ten (K1) and seven (K2) O atoms within 3.5 Å.

Figure 1
The principal building unit of KInAs₂O₇, shown as displacement ellipsoids at the 70% probability level. [Symmetry codes: (i) −x + 1, −y + 1, −z + 1; (ii) x, y + 1, z; (iii) x, y − 1, z; (iv) −x + 1, −y + 1, −z; (v) −x + 2, −y + 1, −z + 1; (vi) −x + 2, −y + 1, −z.]

Figure 2
The framework structure of KInAs₂O₇, viewed along [010]. The K⁺ cations are hosted in the channels extending along [010]. The unit cell is outlined.

The AsO₄ tetrahedra are strongly distorted, with bond-length distortion (Brown & Shannon, 1973 ) ranging from 0.0020 to 0.0024, while the average As—O distances (1.685, 1.687, 1.689 and 1.690 Å for As1–4, respectively, see Table 2) are typical for As—O bond lengths in diarsenates [average = As—O 1.688 (6) Å; Schwendtner & Kolitsch, 2007d]. In addition, the elongated As—O bond lengths to the bridging O atoms (Table 2), ranging from 1.7485 (16) to 1.7607 (16) Å, are typical for diarsenates [average As—O_bridge distance is 1.755 (17); Schwendtner & Kolitsch, 2007d]. The As—O_bridge—As angles are 120.04 (9) and 118.77 (9)°, and therefore very similar to those of the related TlIn, RbIn and NH₄In compounds (Schwendtner 2006), but are smaller than the grand mean value in diarsenates, 124 (5)° (Schwendtner & Kolitsch, 2007d).

Table 2
Selected geometric parameters (Å, °)

K1—O6ⁱ	2.7321 (18)	In2—O9^iv	2.1243 (16)
K1—O2ⁱⁱ	2.7836 (18)	In2—O13^viii	2.1373 (16)
K1—O8	2.8150 (19)	In2—O3	2.1419 (16)
K1—O6	2.892 (2)	In2—O8	2.1551 (17)
K1—O13ⁱⁱ	3.060 (2)	In2—O7	2.1560 (16)
K1—O14ⁱⁱ	3.109 (2)	In2—O12ⁱⁱⁱ	2.1666 (17)
K1—O10	3.1604 (19)	As1—O1	1.6542 (17)
K1—O1	3.225 (2)	As1—O2	1.6609 (16)
K1—O7	3.289 (2)	As1—O3	1.6761 (16)
K1—O1ⁱ	3.405 (2)	As1—O4	1.7485 (16)
K2—O10ⁱⁱⁱ	2.6849 (19)	As2—O5	1.6592 (16)
K2—O9^iv	2.7016 (18)	As2—O7	1.6647 (16)
K2—O3ⁱⁱ	2.7645 (19)	As2—O6	1.6677 (17)
K2—O7	2.8609 (19)	As2—O4	1.7549 (16)
K2—O12^iv	2.930 (2)	As3—O8	1.6550 (15)
K2—O9ⁱⁱⁱ	3.244 (2)	As3—O9	1.6708 (16)
K2—O5^v	3.4261 (18)	As3—O10	1.6763 (16)
In1—O5^vi	2.0946 (17)	As3—O11	1.7538 (16)
In1—O1	2.1036 (17)	As4—O12	1.6579 (17)
In1—O14	2.1502 (17)	As4—O13	1.6697 (16)
In1—O6ⁱ	2.1618 (16)	As4—O14	1.6727 (16)
In1—O10	2.1643 (16)	As4—O11	1.7607 (16)
In1—O2^vii	2.1737 (16)

As1—O4—As2	120.04 (9)	As3—O11—As4	118.77 (9)
Symmetry codes: (i) -x+1, -y+1, -z+1; (ii) x-1, y, z; (iii) x, y-1, z; (iv) -x+1, -y+1, -z; (v) -x+1, -y, -z+1; (vi) x, y+1, z; (vii) -x+2, -y+1, -z+1; (viii) -x+2, -y+1, -z.

The In1O₆ octahedron is considerably more distorted than the In2-centred octahedron. In fact, the In1O₆ octahedron shows the strongest distortion among all of the isotypic In compounds (Schwendtner, 2006) that are so far known [bond-length distortion (Brown & Shannon, 1973): 0.0012 (In1), 0.0003 (In2); bond-angle distortion (Robinson et al., 1971 ): 66.93 (In1), 20.69 (In2)].

The bond-valence sums, calculated using recently refined parameters (Gagné & Hawthorne, 2015 ), amount to 0.94/0.88 (K1/K2), 3.01/2.96 (In1/In2), 5.05/5.03/4.99/4.98 (As1/As2/As3/As4) and 2.00/1.97/1.95/2.08/1.94/1.98/1.99/2.00/2.07/2.02/2.04/1.94/1.89/1.86 (O1–O14) valence units and are thus reasonably close to the theoretical values. As expected, the bridging O4 and O11 ligands are slightly overbonded.

The structure shares a practically identical connectivity with two related structure types, the main difference being differences in space-group symmetry and distortion of the structures. It is most closely related to that of KAlP₂O₇ (Ng & Calvo, 1973), with many of the corresponding Sc-members crystallizing in this structure type. The main difference is a higher space-group symmetry (P2₁/c) of the KAlP₂O₇ type, which is lost in the In compounds due to the larger ionic radius of In³⁺ and a greater distortion of the structure. The second closely related structure type is that of RbAlAs₂O₇ (Boughzala et al., 1993). Many of the arsenates with large M⁺ and small M³⁺ cations crystallize in this structure type, which is also triclinic (P $[\overline{1}]$ ), but actually shows higher symmetry, as Z is halved and the two distinct positions for the As₂O₇ groups, M³⁺O₆ and M⁺ present in the KAlP₂O₇ and TlInAs₂O₇ structure types are equivalent in the RbAlAs₂O₇ structure type. A more detailed comparison of these three related structure types is given in Schwendtner (2006).

3. Synthesis and crystallization

KInAs₂O₇ was synthesized under mild hydrothermal conditions at 493 K (7 d, autogeneous pressure, slow furnace cooling) using a Teflon-lined stainless steel autoclave with an approximate filling volume of 2 cm³. Reagent-grade K₂CO₃, In₂O₃ and H₃AsO₄·5H₂O were used as starting reagents in approximate volume ratios of M⁺:M³⁺:As of 1:1:2. The vessel was filled with distilled water to about 70% of its inner volume. Initial and final pH was about 1. The reaction products were thoroughly washed with distilled water, filtered and dried at room temperature. KInAs₂O₇ grew as thick tabular crystals and was accompanied by about 5 vol.% of K(H₂O)In(H_1.5AsO₄)₂(H₂AsO₄) (Schwendtner & Kolitsch, 2007c).

4. Refinement

Crystal data, data collection and structure refinement details are summarized in Table 3.

Table 3
Experimental details

Crystal data
Chemical formula	KInAs₂O₇
M_r	415.76
Crystal system, space group	Triclinic, P $[\overline{1}]$
Temperature (K)	293
a, b, c (Å)	7.712 (2), 8.554 (2), 10.461 (2)
α, β, γ (°)	88.58 (3), 89.82 (3), 73.97 (3)
V (Å³)	663.1 (3)
Z	4
Radiation type	Mo Kα
μ (mm⁻¹)	14.09
Crystal size (mm)	0.15 × 0.10 × 0.09

Data collection
Diffractometer	Nonius KappaCCD single-crystal four-circle
Absorption correction	Multi-scan (SCALEPACK; Otwinowski et al., 2003 )
T_min, T_max	0.226, 0.364
No. of measured, independent and observed [I > 2σ(I)] reflections	11497, 5787, 5467
R_int	0.017
(sin θ/λ)_max (Å⁻¹)	0.806

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.019, 0.043, 1.16
No. of reflections	5787
No. of parameters	200
Δρ_max, Δρ_min (e Å⁻³)	0.91, −0.80
Computer programs: COLLECT (Nonius, 2003 ), DENZO and SCALEPACK (Otwinowski et al., 2003), SHELXS97 (Sheldrick, 2008 ), SHELXL2016 (Sheldrick, 2015 ), DIAMOND (Brandenburg, 2005 ), publCIF (Westrip, 2010 ).

The largest residual electron densities in the final difference-Fourier map are below 1 e Å⁻³ and are located close to the In atoms.

Supporting information

CCDC reference: 1565954

Crystal structure: contains datablock I. DOI: https://doi.org/10.1107/S2056989017011318/pk2604sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S2056989017011318/pk2604Isup2.hkl

checkCIF report

Computing details top

Data collection: COLLECT (Nonius, 2003); cell refinement: SCALEPACK (Otwinowski et al., 2003); data reduction: 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).

Potassium indium diarsenate(V) top

Crystal data top

KInAs₂O₇	Z = 4
M_r = 415.76	F(000) = 760
Triclinic, P1	D_x = 4.165 Mg m⁻³
a = 7.712 (2) Å	Mo Kα radiation, λ = 0.71073 Å
b = 8.554 (2) Å	Cell parameters from 5760 reflections
c = 10.461 (2) Å	θ = 2.5–35.0°
α = 88.58 (3)°	µ = 14.09 mm⁻¹
β = 89.82 (3)°	T = 293 K
γ = 73.97 (3)°	Thick tabular, colourless
V = 663.1 (3) Å³	0.15 × 0.10 × 0.09 mm

Data collection top

Nonius KappaCCD single-crystal four-circle diffractometer	5467 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	R_int = 0.017
φ and ω scans	θ_max = 35.0°, θ_min = 2.5°
Absorption correction: multi-scan (SCALEPACK; Otwinowski et al., 2003)	h = −12→12
T_min = 0.226, T_max = 0.364	k = −13→13
11497 measured reflections	l = −16→16
5787 independent reflections

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.019	w = 1/[σ²(F_o²) + (0.0098P)² + 1.0091P] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.043	(Δ/σ)_max = 0.002
S = 1.16	Δρ_max = 0.91 e Å⁻³
5787 reflections	Δρ_min = −0.80 e Å⁻³
200 parameters	Extinction correction: SHELXL2016 (Sheldrick, 2015), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.00818 (16)

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
K1	0.34522 (8)	0.53997 (7)	0.32187 (5)	0.02034 (10)
K2	0.31660 (7)	0.05934 (7)	0.17988 (6)	0.02080 (10)
In1	0.73419 (2)	0.73879 (2)	0.40711 (2)	0.00661 (3)
In2	0.73416 (2)	0.23051 (2)	0.10125 (2)	0.00664 (3)
As1	0.94019 (3)	0.32576 (2)	0.35376 (2)	0.00635 (4)
As2	0.66173 (3)	0.14940 (2)	0.42785 (2)	0.00643 (4)
As3	0.62526 (3)	0.66936 (2)	0.10396 (2)	0.00657 (4)
As4	0.95282 (3)	0.79448 (2)	0.13500 (2)	0.00698 (4)
O1	0.7706 (2)	0.49230 (19)	0.36618 (17)	0.0159 (3)
O2	1.1358 (2)	0.3418 (2)	0.40953 (15)	0.0119 (3)
O3	0.9650 (2)	0.2482 (2)	0.20709 (14)	0.0113 (3)
O4	0.8725 (2)	0.1851 (2)	0.45195 (15)	0.0118 (3)
O5	0.6925 (2)	−0.03518 (19)	0.49288 (15)	0.0126 (3)
O6	0.5122 (2)	0.29000 (18)	0.50933 (15)	0.0110 (3)
O7	0.6078 (2)	0.1721 (2)	0.27322 (14)	0.0140 (3)
O8	0.5977 (2)	0.48491 (18)	0.12146 (15)	0.0115 (3)
O9	0.5133 (2)	0.78072 (19)	−0.01871 (14)	0.0114 (3)
O10	0.5710 (2)	0.78104 (19)	0.23508 (14)	0.0106 (3)
O11	0.8537 (2)	0.65005 (19)	0.07271 (15)	0.0116 (3)
O12	0.8338 (2)	0.97121 (19)	0.07213 (16)	0.0149 (3)
O13	1.1666 (2)	0.7361 (2)	0.08550 (15)	0.0118 (3)
O14	0.9563 (2)	0.7698 (2)	0.29418 (15)	0.0151 (3)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
K1	0.0218 (2)	0.0215 (2)	0.0207 (2)	−0.0113 (2)	0.00072 (19)	0.00221 (18)
K2	0.0139 (2)	0.0180 (2)	0.0283 (3)	−0.00121 (18)	0.00082 (19)	0.00371 (19)
In1	0.00685 (6)	0.00706 (6)	0.00621 (5)	−0.00241 (4)	0.00060 (4)	−0.00022 (4)
In2	0.00646 (6)	0.00762 (6)	0.00602 (5)	−0.00223 (4)	0.00010 (4)	−0.00027 (4)
As1	0.00562 (8)	0.00642 (8)	0.00720 (8)	−0.00194 (6)	−0.00088 (6)	−0.00041 (6)
As2	0.00676 (8)	0.00649 (8)	0.00648 (8)	−0.00255 (6)	0.00150 (6)	−0.00048 (6)
As3	0.00675 (8)	0.00614 (8)	0.00705 (8)	−0.00214 (6)	−0.00117 (6)	−0.00007 (6)
As4	0.00620 (8)	0.00841 (8)	0.00674 (8)	−0.00270 (7)	0.00132 (6)	−0.00005 (6)
O1	0.0121 (7)	0.0076 (6)	0.0253 (8)	0.0021 (5)	−0.0034 (6)	−0.0053 (6)
O2	0.0096 (6)	0.0171 (7)	0.0110 (6)	−0.0072 (6)	−0.0046 (5)	0.0047 (5)
O3	0.0088 (6)	0.0177 (7)	0.0075 (6)	−0.0037 (5)	0.0004 (5)	−0.0050 (5)
O4	0.0083 (6)	0.0151 (7)	0.0138 (7)	−0.0067 (5)	−0.0023 (5)	0.0052 (5)
O5	0.0165 (7)	0.0069 (6)	0.0148 (7)	−0.0040 (5)	0.0026 (6)	0.0002 (5)
O6	0.0095 (6)	0.0095 (6)	0.0146 (7)	−0.0035 (5)	0.0051 (5)	−0.0035 (5)
O7	0.0126 (7)	0.0258 (8)	0.0061 (6)	−0.0096 (6)	−0.0002 (5)	0.0017 (6)
O8	0.0129 (7)	0.0067 (6)	0.0156 (7)	−0.0041 (5)	−0.0011 (5)	0.0003 (5)
O9	0.0119 (6)	0.0129 (7)	0.0111 (6)	−0.0067 (5)	−0.0055 (5)	0.0062 (5)
O10	0.0113 (6)	0.0100 (6)	0.0087 (6)	0.0003 (5)	−0.0021 (5)	−0.0022 (5)
O11	0.0083 (6)	0.0111 (6)	0.0166 (7)	−0.0044 (5)	0.0017 (5)	−0.0043 (5)
O12	0.0167 (7)	0.0070 (6)	0.0189 (7)	0.0004 (6)	−0.0004 (6)	0.0010 (5)
O13	0.0067 (6)	0.0177 (7)	0.0104 (6)	−0.0024 (5)	0.0028 (5)	0.0015 (5)
O14	0.0111 (7)	0.0298 (9)	0.0069 (6)	−0.0100 (6)	0.0011 (5)	0.0010 (6)

Geometric parameters (Å, º) top

K1—O6ⁱ	2.7321 (18)	In1—O14	2.1502 (17)
K1—O2ⁱⁱ	2.7836 (18)	In1—O6ⁱ	2.1618 (16)
K1—O8	2.8150 (19)	In1—O10	2.1643 (16)
K1—O6	2.892 (2)	In1—O2^vii	2.1737 (16)
K1—O13ⁱⁱ	3.060 (2)	In2—O9^iv	2.1243 (16)
K1—O14ⁱⁱ	3.109 (2)	In2—O13^viii	2.1373 (16)
K1—O10	3.1604 (19)	In2—O3	2.1419 (16)
K1—O1	3.225 (2)	In2—O8	2.1551 (17)
K1—O7	3.289 (2)	In2—O7	2.1560 (16)
K1—O1ⁱ	3.405 (2)	In2—O12ⁱⁱⁱ	2.1666 (17)
K1—As3	3.5000 (12)	As1—O1	1.6542 (17)
K1—As2	3.6985 (16)	As1—O2	1.6609 (16)
K2—O10ⁱⁱⁱ	2.6849 (19)	As1—O3	1.6761 (16)
K2—O9^iv	2.7016 (18)	As1—O4	1.7485 (16)
K2—O3ⁱⁱ	2.7645 (19)	As2—O5	1.6592 (16)
K2—O7	2.8609 (19)	As2—O7	1.6647 (16)
K2—O12^iv	2.930 (2)	As2—O6	1.6677 (17)
K2—O9ⁱⁱⁱ	3.244 (2)	As2—O4	1.7549 (16)
K2—O5^v	3.4261 (18)	As3—O8	1.6550 (15)
K2—As3ⁱⁱⁱ	3.6275 (15)	As3—O9	1.6708 (16)
K2—As1ⁱⁱ	3.6671 (15)	As3—O10	1.6763 (16)
K2—As3^iv	3.8247 (13)	As3—O11	1.7538 (16)
K2—As4^iv	3.8903 (14)	As4—O12	1.6579 (17)
K2—As2	3.9601 (13)	As4—O13	1.6697 (16)
In1—O5^vi	2.0946 (17)	As4—O14	1.6727 (16)
In1—O1	2.1036 (17)	As4—O11	1.7607 (16)

O6ⁱ—K1—O2ⁱⁱ	120.26 (5)	O2^vii—In1—K1	114.30 (5)
O6ⁱ—K1—O8	102.77 (5)	K1ⁱ—In1—K1	68.45 (3)
O2ⁱⁱ—K1—O8	128.48 (5)	O9^iv—In2—O13^viii	89.55 (6)
O6ⁱ—K1—O6	78.11 (5)	O9^iv—In2—O3	172.63 (6)
O2ⁱⁱ—K1—O6	63.78 (5)	O13^viii—In2—O3	97.43 (6)
O8—K1—O6	102.93 (5)	O9^iv—In2—O8	84.32 (7)
O6ⁱ—K1—O13ⁱⁱ	114.87 (5)	O13^viii—In2—O8	93.94 (7)
O2ⁱⁱ—K1—O13ⁱⁱ	109.47 (5)	O3—In2—O8	92.81 (7)
O8—K1—O13ⁱⁱ	71.53 (5)	O9^iv—In2—O7	81.95 (6)
O6—K1—O13ⁱⁱ	166.51 (5)	O13^viii—In2—O7	170.02 (6)
O6ⁱ—K1—O14ⁱⁱ	100.17 (6)	O3—In2—O7	91.30 (6)
O2ⁱⁱ—K1—O14ⁱⁱ	77.84 (5)	O8—In2—O7	90.42 (7)
O8—K1—O14ⁱⁱ	123.20 (5)	O9^iv—In2—O12ⁱⁱⁱ	87.43 (7)
O6—K1—O14ⁱⁱ	132.49 (5)	O13^viii—In2—O12ⁱⁱⁱ	87.02 (7)
O13ⁱⁱ—K1—O14ⁱⁱ	51.67 (5)	O3—In2—O12ⁱⁱⁱ	95.25 (7)
O6ⁱ—K1—O10	57.03 (5)	O8—In2—O12ⁱⁱⁱ	171.69 (6)
O2ⁱⁱ—K1—O10	176.42 (5)	O7—In2—O12ⁱⁱⁱ	87.39 (7)
O8—K1—O10	55.10 (5)	O9^iv—In2—K2	39.85 (4)
O6—K1—O10	116.56 (5)	O13^viii—In2—K2	125.79 (5)
O13ⁱⁱ—K1—O10	70.97 (5)	O3—In2—K2	134.41 (5)
O14ⁱⁱ—K1—O10	100.08 (5)	O8—In2—K2	97.40 (5)
O6ⁱ—K1—O1	55.08 (5)	O7—In2—K2	44.56 (5)
O2ⁱⁱ—K1—O1	128.24 (5)	O12ⁱⁱⁱ—In2—K2	75.47 (5)
O8—K1—O1	56.90 (5)	O9^iv—In2—K2^ix	54.43 (5)
O6—K1—O1	65.27 (5)	O13^viii—In2—K2^ix	59.83 (5)
O13ⁱⁱ—K1—O1	118.16 (5)	O3—In2—K2^ix	131.59 (5)
O14ⁱⁱ—K1—O1	149.48 (5)	O8—In2—K2^ix	127.99 (5)
O10—K1—O1	52.91 (5)	O7—In2—K2^ix	110.57 (5)
O6ⁱ—K1—O7	113.18 (5)	O12ⁱⁱⁱ—In2—K2^ix	46.10 (5)
O2ⁱⁱ—K1—O7	77.31 (5)	K2—In2—K2^ix	71.84 (3)
O8—K1—O7	59.57 (5)	O9^iv—In2—K1	76.25 (5)
O6—K1—O7	51.60 (5)	O13^viii—In2—K1	130.97 (5)
O13ⁱⁱ—K1—O7	116.67 (5)	O3—In2—K1	97.27 (5)
O14ⁱⁱ—K1—O7	145.31 (5)	O8—In2—K1	38.84 (5)
O10—K1—O7	105.77 (5)	O7—In2—K1	51.90 (5)
O1—K1—O7	64.43 (5)	O12ⁱⁱⁱ—In2—K1	137.44 (5)
O6ⁱ—K1—O1ⁱ	64.20 (5)	K2—In2—K1	66.80 (2)
O2ⁱⁱ—K1—O1ⁱ	56.14 (5)	K2^ix—In2—K1	130.47 (2)
O8—K1—O1ⁱ	152.21 (5)	O1—As1—O2	114.49 (9)
O6—K1—O1ⁱ	51.80 (5)	O1—As1—O3	114.04 (9)
O13ⁱⁱ—K1—O1ⁱ	135.76 (5)	O2—As1—O3	110.79 (8)
O14ⁱⁱ—K1—O1ⁱ	84.23 (5)	O1—As1—O4	102.79 (9)
O10—K1—O1ⁱ	120.95 (5)	O2—As1—O4	107.73 (8)
O1—K1—O1ⁱ	97.62 (5)	O3—As1—O4	106.13 (8)
O7—K1—O1ⁱ	101.37 (5)	O1—As1—K2^x	152.44 (7)
O6ⁱ—K1—As3	83.20 (4)	O2—As1—K2^x	69.60 (6)
O2ⁱⁱ—K1—As3	154.87 (4)	O3—As1—K2^x	45.51 (6)
O8—K1—As3	27.77 (3)	O4—As1—K2^x	101.41 (6)
O6—K1—As3	118.04 (4)	O5—As2—O7	116.83 (9)
O13ⁱⁱ—K1—As3	62.61 (4)	O5—As2—O6	111.77 (8)
O14ⁱⁱ—K1—As3	108.68 (4)	O7—As2—O6	109.04 (9)
O10—K1—As3	28.57 (3)	O5—As2—O4	102.19 (8)
O1—K1—As3	55.76 (4)	O7—As2—O4	109.84 (8)
O7—K1—As3	85.32 (4)	O6—As2—O4	106.52 (8)
O1ⁱ—K1—As3	146.83 (4)	O5—As2—K1	148.49 (6)
O6ⁱ—K1—As2	91.93 (4)	O7—As2—K1	62.78 (7)
O2ⁱⁱ—K1—As2	73.27 (4)	O6—As2—K1	48.98 (6)
O8—K1—As2	78.71 (4)	O4—As2—K1	107.28 (6)
O6—K1—As2	25.79 (3)	O5—As2—K1ⁱ	111.45 (6)
O13ⁱⁱ—K1—As2	143.34 (4)	O7—As2—K1ⁱ	130.87 (7)
O14ⁱⁱ—K1—As2	150.96 (4)	O6—As2—K1ⁱ	40.86 (6)
O10—K1—As2	108.62 (4)	O4—As2—K1ⁱ	66.62 (6)
O1—K1—As2	56.71 (4)	K1—As2—K1ⁱ	71.63 (3)
O7—K1—As2	26.75 (3)	O5—As2—K2	89.90 (7)
O1ⁱ—K1—As2	77.42 (4)	O7—As2—K2	38.85 (6)
As3—K1—As2	98.85 (3)	O6—As2—K2	96.95 (6)
O10ⁱⁱⁱ—K2—O9^iv	103.29 (6)	O4—As2—K2	146.96 (6)
O10ⁱⁱⁱ—K2—O3ⁱⁱ	148.68 (5)	K1—As2—K2	71.29 (3)
O9^iv—K2—O3ⁱⁱ	108.00 (6)	K1ⁱ—As2—K2	136.85 (2)
O10ⁱⁱⁱ—K2—O7	77.31 (6)	O8—As3—O9	115.24 (8)
O9^iv—K2—O7	60.53 (5)	O8—As3—O10	113.16 (8)
O3ⁱⁱ—K2—O7	119.83 (6)	O9—As3—O10	107.16 (8)
O10ⁱⁱⁱ—K2—O12^iv	107.93 (6)	O8—As3—O11	108.46 (8)
O9^iv—K2—O12^iv	75.74 (5)	O9—As3—O11	105.13 (8)
O3ⁱⁱ—K2—O12^iv	78.86 (6)	O10—As3—O11	107.11 (8)
O7—K2—O12^iv	135.65 (5)	O8—As3—K1	52.42 (6)
O10ⁱⁱⁱ—K2—O9ⁱⁱⁱ	53.02 (5)	O9—As3—K1	113.45 (6)
O9^iv—K2—O9ⁱⁱⁱ	77.12 (5)	O10—As3—K1	64.39 (6)
O3ⁱⁱ—K2—O9ⁱⁱⁱ	133.51 (5)	O11—As3—K1	141.33 (6)
O7—K2—O9ⁱⁱⁱ	103.15 (5)	O8—As3—K2^vi	129.12 (6)
O12^iv—K2—O9ⁱⁱⁱ	57.14 (5)	O9—As3—K2^vi	63.41 (6)
O10ⁱⁱⁱ—K2—O5^v	76.92 (6)	O10—As3—K2^vi	43.92 (6)
O9^iv—K2—O5^v	131.30 (5)	O11—As3—K2^vi	121.20 (6)
O3ⁱⁱ—K2—O5^v	83.57 (6)	K1—As3—K2^vi	80.29 (3)
O7—K2—O5^v	72.55 (5)	O8—As3—K2^iv	135.36 (6)
O12^iv—K2—O5^v	151.70 (5)	O9—As3—K2^iv	37.63 (6)
O9ⁱⁱⁱ—K2—O5^v	128.64 (5)	O10—As3—K2^iv	109.87 (6)
O10ⁱⁱⁱ—K2—As3ⁱⁱⁱ	25.66 (3)	O11—As3—K2^iv	68.47 (6)
O9^iv—K2—As3ⁱⁱⁱ	91.84 (5)	K1—As3—K2^iv	149.98 (2)
O3ⁱⁱ—K2—As3ⁱⁱⁱ	148.57 (4)	K2^vi—As3—K2^iv	77.40 (3)
O7—K2—As3ⁱⁱⁱ	90.99 (5)	O12—As4—O13	114.01 (9)
O12^iv—K2—As3ⁱⁱⁱ	82.93 (5)	O12—As4—O14	118.28 (9)
O9ⁱⁱⁱ—K2—As3ⁱⁱⁱ	27.42 (3)	O13—As4—O14	107.10 (8)
O5^v—K2—As3ⁱⁱⁱ	101.70 (4)	O12—As4—O11	104.77 (8)
O10ⁱⁱⁱ—K2—As1ⁱⁱ	135.28 (4)	O13—As4—O11	104.59 (8)
O9^iv—K2—As1ⁱⁱ	114.06 (5)	O14—As4—O11	106.99 (8)
O3ⁱⁱ—K2—As1ⁱⁱ	25.63 (3)	O12—As4—K1^x	151.68 (6)
O7—K2—As1ⁱⁱ	99.90 (5)	O13—As4—K1^x	53.94 (6)
O12^iv—K2—As1ⁱⁱ	104.49 (4)	O14—As4—K1^x	55.64 (7)
O9ⁱⁱⁱ—K2—As1ⁱⁱ	156.93 (3)	O11—As4—K1^x	103.26 (6)
O5^v—K2—As1ⁱⁱ	60.25 (4)	O12—As4—K2^iv	43.87 (7)
As3ⁱⁱⁱ—K2—As1ⁱⁱ	154.03 (2)	O13—As4—K2^iv	103.15 (6)
O10ⁱⁱⁱ—K2—As3^iv	120.46 (5)	O14—As4—K2^iv	149.68 (6)
O9^iv—K2—As3^iv	22.19 (3)	O11—As4—K2^iv	66.53 (6)
O3ⁱⁱ—K2—As3^iv	89.60 (5)	K1^x—As4—K2^iv	153.30 (2)
O7—K2—As3^iv	80.16 (4)	As1—O1—In1	137.71 (10)
O12^iv—K2—As3^iv	58.83 (4)	As1—O1—K1	129.03 (8)
O9ⁱⁱⁱ—K2—As3^iv	80.57 (4)	In1—O1—K1	93.24 (6)
O5^v—K2—As3^iv	143.46 (3)	As1—O1—K1ⁱ	100.72 (8)
As3ⁱⁱⁱ—K2—As3^iv	102.60 (3)	In1—O1—K1ⁱ	84.15 (6)
As1ⁱⁱ—K2—As3^iv	102.46 (3)	K1—O1—K1ⁱ	82.38 (5)
O10ⁱⁱⁱ—K2—As4^iv	130.07 (5)	As1—O2—In1^vii	129.48 (9)
O9^iv—K2—As4^iv	67.39 (4)	As1—O2—K1^x	129.19 (8)
O3ⁱⁱ—K2—As4^iv	63.75 (4)	In1^vii—O2—K1^x	99.93 (6)
O7—K2—As4^iv	125.94 (4)	As1—O3—In2	120.25 (8)
O12^iv—K2—As4^iv	23.09 (3)	As1—O3—K2^x	108.86 (8)
O9ⁱⁱⁱ—K2—As4^iv	77.51 (4)	In2—O3—K2^x	126.82 (7)
O5^v—K2—As4^iv	147.12 (4)	As1—O4—As2	120.04 (9)
As3ⁱⁱⁱ—K2—As4^iv	104.51 (3)	As2—O5—In1ⁱⁱⁱ	130.44 (9)
As1ⁱⁱ—K2—As4^iv	88.12 (3)	As2—O5—K2^v	116.32 (8)
As3^iv—K2—As4^iv	46.153 (19)	In1ⁱⁱⁱ—O5—K2^v	113.24 (6)
O10ⁱⁱⁱ—K2—As2	71.17 (4)	As2—O6—In1ⁱ	125.62 (8)
O9^iv—K2—As2	81.89 (4)	As2—O6—K1ⁱ	115.60 (8)
O3ⁱⁱ—K2—As2	114.46 (4)	In1ⁱ—O6—K1ⁱ	107.02 (6)
O7—K2—As2	21.41 (3)	As2—O6—K1	105.23 (7)
O12^iv—K2—As2	156.80 (4)	In1ⁱ—O6—K1	96.99 (6)
O9ⁱⁱⁱ—K2—As2	112.01 (4)	K1ⁱ—O6—K1	101.89 (5)
O5^v—K2—As2	51.49 (3)	As2—O7—In2	135.63 (9)
As3ⁱⁱⁱ—K2—As2	91.82 (3)	As2—O7—K2	119.75 (8)
As1ⁱⁱ—K2—As2	90.09 (3)	In2—O7—K2	103.52 (6)
As3^iv—K2—As2	100.84 (3)	As2—O7—K1	90.47 (8)
As4^iv—K2—As2	145.27 (2)	In2—O7—K1	97.04 (7)
O5^vi—In1—O1	166.27 (7)	K2—O7—K1	92.93 (5)
O5^vi—In1—O14	93.20 (7)	As3—O8—In2	142.75 (9)
O1—In1—O14	96.26 (8)	As3—O8—K1	99.81 (8)
O5^vi—In1—O6ⁱ	90.56 (7)	In2—O8—K1	112.46 (7)
O1—In1—O6ⁱ	81.66 (7)	As3—O9—In2^iv	127.85 (8)
O14—In1—O6ⁱ	170.49 (6)	As3—O9—K2^iv	120.18 (8)
O5^vi—In1—O10	106.60 (7)	In2^iv—O9—K2^iv	109.90 (6)
O1—In1—O10	83.61 (7)	As3—O9—K2^vi	89.16 (7)
O14—In1—O10	88.56 (6)	In2^iv—O9—K2^vi	93.39 (6)
O6ⁱ—In1—O10	81.99 (6)	K2^iv—O9—K2^vi	102.88 (5)
O5^vi—In1—O2^vii	80.65 (7)	As3—O10—In1	123.52 (8)
O1—In1—O2^vii	87.70 (7)	As3—O10—K2^vi	110.42 (7)
O14—In1—O2^vii	101.65 (6)	In1—O10—K2^vi	123.98 (7)
O6ⁱ—In1—O2^vii	87.57 (6)	As3—O10—K1	87.04 (6)
O10—In1—O2^vii	167.27 (6)	In1—O10—K1	93.87 (6)
O5^vi—In1—K1ⁱ	103.80 (5)	K2^vi—O10—K1	103.39 (6)
O1—In1—K1ⁱ	62.60 (6)	As3—O11—As4	118.77 (9)
O14—In1—K1ⁱ	138.00 (5)	As4—O12—In2^vi	145.24 (10)
O6ⁱ—In1—K1ⁱ	48.79 (5)	As4—O12—K2^iv	113.04 (8)
O10—In1—K1ⁱ	121.39 (5)	In2^vi—O12—K2^iv	101.71 (7)
O2^vii—In1—K1ⁱ	45.94 (4)	As4—O13—In2^viii	127.33 (9)
O5^vi—In1—K1	124.31 (5)	As4—O13—K1^x	99.88 (7)
O1—In1—K1	54.63 (5)	In2^viii—O13—K1^x	132.34 (7)
O14—In1—K1	130.46 (5)	As4—O14—In1	124.72 (9)
O6ⁱ—In1—K1	41.42 (4)	As4—O14—K1^x	97.99 (8)
O10—In1—K1	52.98 (5)	In1—O14—K1^x	122.74 (7)

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

Comparison of the unit-cell parameters of diarsenates isotypic with KInAs₂O₇ and closely related structure types top

Compound	a (Å)	b (Å)	c (Å)	α (°)	β (°)	γ (°)	V (Å³)
TlInAs₂O₇ type¹
KInAs₂O₇	7.712 (2)	8.554 (2)	10.461 (2)	88.58 (3)	89.82 (3)	73.97 (3)	663.1 (3)
RbInAs₂O₇¹	7.845 (2)	8.678 (2)	10.492 (2)	88.85 (3)	89.93 (3)	74.38 (3)	687.5 (3)
TlInAs₂O₇¹	7.827 (2)	8.625 (2)	10.494 (2)	88.83 (3)	89.98 (3)	74.31 (3)	682.1 (3)
(NH₄)InAs₂O₇¹	7.858 (2)	8.649 (2)	10.515 (2)	88.96 (3)	89.94 (3)	74.34 (3)	688.0 (3)
KFeAs₂O₇²	7.662 (1)	8.402 (2)	10.100 (3)	89.58 (3)	89.74 (2)	73.61 (2)	623.8 (3)
KAlP₂O₇ type³
RbScAs₂O₇⁴	7.837 (2)	10.625 (2)	8.778 (2)	90.00	106.45 (3)	90.00	701.0 (3)
TlScAs₂O₇⁵	7.814 (2)	10.613 (2)	8.726 (2)	90.00	106.31 (3)	90.00	694.5 (3)
CsCrAs₂O₇⁶	7.908 (1)	10.0806 (10)	8.6371 (10)	90.00	105.841 (1)	90.00	662.38 (13)
(NH₄)ScAs₂O₇⁷	7.842 (2)	10.656 (2)	8.765 (2)	90.00	106.81 (3)	90.00	701.1 (3)
RbAlAs₂O₇ type⁸
KGaAs₂O₇⁹	6.271 (1)	6.376 (1)	8.169 (1)	96.45 (1)	103.86 (1)	103.87 (1)	302.84 (8)
KAlAs₂O₇¹⁰	6.192 (4)	6.297 (3)	8.106 (1)	96.600 (8)	104.517 (8)	102.864 (7)	293.4
RbAlAs₂O₇⁸	6.241 (5)	6.34 (2)	8.233 (5)	96.7 (1)	103.89 (7)	102.6 (1)	303.9
CsAlAs₂O₇¹¹	6.494 (8)	6.709 (7)	8.360 (8)	97.07 (9)	103.23 (9)	102.62 (8)	340.4
TlAlAs₂O₇¹¹	6.267 (4)	6.324 (4)	8.168 (8)	97.07 (7)	103.83 (8)	102.99 (8)	300.9
KCr_0.25Al_0.75 As₂O₇¹²	6.243 (3)	6.349 (3)	8.153 (4)	96.57 (2)	104.45 (3)	103.08 (4)	299.8 (8)
TlFe_0.22Al_0.78As₂O₇¹³	6.296 (2)	6.397 (2)	8.242 (2)	96.74 (2)	103.78 (2)	102.99 (3)	309.0 (2)
KCrAs₂O₇¹⁴	6.316 (1)	6.420 (1)	8.179 (2)	96.29 (3)	104.27 (3)	103.66 (3)	307.4 (1)

Notes: (1) Schwendtner (2006), P1, Z = 4; (2) Ouerfelli et al. (2007b), transformed to reduced cell; (3) Ng & Calvo (1973), P2₁/c, Z = 4; (4) Schwendtner & Kolitsch (2004a); (5) Baran et al. (2006); (6) Bouhassine & Boughzala (2015); (7) Kolitsch (2004); (8) Boughzala et al. (1993), P1, Z = 2, transformed to reduced cell; (9) Lin & Lii (1996); (10) Boughzala & Jouini (1995); (11) Boughzala & Jouini (1992), transformed to reduced cell; (12) Bouhassine & Boughzala (2017); (13) Ouerfelli et al. (2007a); (14) Siegfried et al. (2004).

Acknowledgements

The authors acknowledge the TU Wien University Library for financial support through its Open Access Funding Program.

Funding information

Funding for this research was provided by: Austrian Academy of Sciences, Doc fForte Fellowship to K. Schwendtner.

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