(NH4)Ga(HAsO4)2 and TlAl(HAsO4)2 - two new RbFe(HPO4)2-type M
 +
 M
 3+ arsenates

Schwendtner, Karolina; Kolitsch, Uwe

doi:10.1107/s2056989018013567

Cited by 2 publications

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References 29 publications

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“…CrAsO 4 ⋅2H 2 O was synthesised as part of a larger project with the aim of an extensive study of the insufficiently known system M 1+ – M 3+ –As–O–H ( M 1+ = Li, Na, K, Rb, Cs, Ag, Tl or NH 4 ; M 3+ = Al, Ga, In, Sc, Cr or Fe) (e.g. Schwendtner and Kolitsch, 2007 a , b , 2017, 2018, and references cited therein). CrAsO 4 ⋅2H 2 O was prepared by mild hydrothermal methods in Teflon-lined stainless steel autoclaves ( T = 220°C, duration 7 days with slow furnace cooling) from a mixture of reagent-grade Sr(OH) 2 ⋅8H 2 O, Cr(NO 3 ) 3 ⋅9H 2 O, H 3 AsO 4 ⋅0.5H 2 O (volume ratio ~1:1:3) and distilled water.…”

Section: Methodsmentioning

confidence: 99%

Crystal chemistry of the variscite and metavariscite groups: Crystal structures of synthetic CrAsO₄⋅2H₂O, TlPO₄⋅2H₂O, MnSeO₄⋅2H₂O, CdSeO₄⋅2H₂O and natural bonacinaite, ScAsO₄⋅2H₂O

Kolitsch

Weil

Kovrugin

et al. 2020

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We report the crystal structures of four synthetic members of the variscite group (space group type Pbca) and of bonacinaite, the first naturally occurring scandium arsenate member of the metavariscite group. All structures were determined using single-crystal X-ray intensity data. The following members were all synthesised under either mild hydrothermal conditions or by wet-chemical methods (<90°C). CrAsO4⋅2H2O (deep green): a = 8.894(2), b = 9.946(2), c = 10.206(2) Å and V = 902.8(3) Å3; R1 = 2.14%. Tl3+PO4⋅2H2O (colourless): a = 10.2848(7), b = 8.8578(6), c = 10.3637(7) Å and V = 944.14(11) Å3 (data at –173°C); R1 = 2.56%. MnSeO4⋅2H2O (pale pink): a = 10.441(2), b = 9.2410(18), c = 10.552(2) Å and V = 1018.1(3) Å3; R1 = 2.19%. A different method of preparation of MnSeO4⋅2H2O yielded crystals with very similar unit-cell parameters, a = 10.4353(5), b = 9.2420(5) and c = 10.5349(6) Å; R1 = 2.25%. CdSeO4⋅2H2O (colourless) has a = 10.481(1), b = 9.416(1), c = 10.755(1) Å and V = 1061.4(2) Å3; R1 = 1.53%. The thermal behaviour of the two selenate members was studied by a combination of DSC and TG, supplemented by PXRD. Bonacinaite (IMA2018-056), metavariscite-type natural (Sc,Al)(As,P)O4⋅2H2O (ideally ScAsO4⋅2H2O), crystallises in the space group P21/n, with a = 5.533(1), b = 10.409(2), c = 9.036(2) Å, β = 91.94(3)° and V = 520.11(18) Å3; R1 = 3.66%. The structural formula, supported by chemical analysis, is (Sc0.807(1)Al0.193)(As0.767(7)P0.233)O4⋅2H2O. All structures are based on frameworks built by corner-sharing of TO4 tetrahedra (T = P5+, As5+ or Se6+) with MO4(H2O)2 (M = Mn2+, Cd2+, Cr3+, Sc3+ or Tl3+) octahedra. The flexible frameworks are reinforced by partly bifurcated, strong to weak hydrogen bonds. The crystal chemistry of all known synthetic and natural members of the variscite and metavariscite groups is discussed and compared, and the relative stabilities are evaluated. With the aid of the COMPSTRU program (Bilbao Crystallographic Server), a quantitative comparison of the crystal structures in both groups is given. Calculations of the structural and topological complexity reveal that the metavariscite structure type is structurally and topologically simpler than that of variscite. It is suggested that metavariscite and phosphosiderite are metastable kinetically stabilised phases, in contrast to thermodynamically stable variscite and strengite, respectively. The 3D frameworks of the members of both groups have been shown to be potential electrode materials for rechargeable Li ion batteries.

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Section: Methodsmentioning

confidence: 99%

Crystal chemistry of the variscite and metavariscite groups: Crystal structures of synthetic CrAsO₄⋅2H₂O, TlPO₄⋅2H₂O, MnSeO₄⋅2H₂O, CdSeO₄⋅2H₂O and natural bonacinaite, ScAsO₄⋅2H₂O

Kolitsch

Weil

Kovrugin

et al. 2020

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CsGa(HAsO₄)₂, the first Ga representative of the RbAl(HAsO₄)₂structure type

Schwendtner

Kolitsch

2019

Acta Cryst E

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The crystal structure of hydrothermally synthesized (T = 493 K, 7 d) caesium gallium bis[hydrogen arsenate(V)], CsGa(HAsO4)2, was solved by single-crystal X-ray diffraction. The compound crystallizes in the common RbAl(HAsO4)2 structure type (R32) and consists of a basic tetrahedral–octahedral framework topology that houses Cs+ cations in its channels. The AsO4 tetrahedron is disordered over two positions with site occupancy factors of 0.946 (1) and 0.054 (1). Strong hydrogen bonds strengthen the network. The structure was refined as inversion twin.

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(NH₄)Ga(HAsO₄)₂ and TlAl(HAsO₄)₂ - two new RbFe(HPO₄)₂-type M ⁺ M ³⁺ arsenates

Abstract: The crystal structures of hydrothermally synthesized (NH4)Ga(HAsO4)2 and TlAl(HAsO4)2 were solved by single-crystal X-ray diffraction. They both crystallize in the common RbFe(HPO4)2 structure type (R c).

Cited by 2 publications

References 29 publications

Crystal chemistry of the variscite and metavariscite groups: Crystal structures of synthetic CrAsO₄⋅2H₂O, TlPO₄⋅2H₂O, MnSeO₄⋅2H₂O, CdSeO₄⋅2H₂O and natural bonacinaite, ScAsO₄⋅2H₂O

Crystal chemistry of the variscite and metavariscite groups: Crystal structures of synthetic CrAsO₄⋅2H₂O, TlPO₄⋅2H₂O, MnSeO₄⋅2H₂O, CdSeO₄⋅2H₂O and natural bonacinaite, ScAsO₄⋅2H₂O

CsGa(HAsO₄)₂, the first Ga representative of the RbAl(HAsO₄)₂structure type

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(NH4)Ga(HAsO4)2 and TlAl(HAsO4)2 - two new RbFe(HPO4)2-type M + M 3+ arsenates

Abstract: The crystal structures of hydro­thermally synthesized (NH4)Ga(HAsO4)2 and TlAl(HAsO4)2 were solved by single-crystal X-ray diffraction. They both crystallize in the common RbFe(HPO4)2 structure type (R c).

Cited by 2 publications

References 29 publications

Crystal chemistry of the variscite and metavariscite groups: Crystal structures of synthetic CrAsO4⋅2H2O, TlPO4⋅2H2O, MnSeO4⋅2H2O, CdSeO4⋅2H2O and natural bonacinaite, ScAsO4⋅2H2O

Crystal chemistry of the variscite and metavariscite groups: Crystal structures of synthetic CrAsO4⋅2H2O, TlPO4⋅2H2O, MnSeO4⋅2H2O, CdSeO4⋅2H2O and natural bonacinaite, ScAsO4⋅2H2O

CsGa(HAsO4)2, the first Ga representative of the RbAl(HAsO4)2structure type

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(NH₄)Ga(HAsO₄)₂ and TlAl(HAsO₄)₂ - two new RbFe(HPO₄)₂-type M ⁺ M ³⁺ arsenates

Abstract: The crystal structures of hydrothermally synthesized (NH4)Ga(HAsO4)2 and TlAl(HAsO4)2 were solved by single-crystal X-ray diffraction. They both crystallize in the common RbFe(HPO4)2 structure type (R c).

Crystal chemistry of the variscite and metavariscite groups: Crystal structures of synthetic CrAsO₄⋅2H₂O, TlPO₄⋅2H₂O, MnSeO₄⋅2H₂O, CdSeO₄⋅2H₂O and natural bonacinaite, ScAsO₄⋅2H₂O

Crystal chemistry of the variscite and metavariscite groups: Crystal structures of synthetic CrAsO₄⋅2H₂O, TlPO₄⋅2H₂O, MnSeO₄⋅2H₂O, CdSeO₄⋅2H₂O and natural bonacinaite, ScAsO₄⋅2H₂O

CsGa(HAsO₄)₂, the first Ga representative of the RbAl(HAsO₄)₂structure type