Single-crystal structures of A 2SiF6 (A = Tl, Rb, Cs), a better structure model for Tl3[SiF6]F, and its novel tetragonal polymorph

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Julia Rienmüller ◽  
Jascha Bandemehr ◽  
Florian Kraus
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Type ◽  
Structure Model ◽  
Tetragonal Modification ◽  
Space Group ◽  
Type Space ◽  
Single Crystal Structures ◽  
Structure Determinations ◽  
Hexagonal Modification

Abstract We report on the syntheses and single-crystal structure determinations of the compounds A 2SiF6 (A = Tl, Rb, Cs). In comparison to the previous powder-based structure models we achieved more precise atom positions and distances. The compounds crystallize in the K2PtCl6 structure type, space group Fm 3 ‾ $‾{3}$ m (No. 225, cF36) with a = 8.4749(10) Å, V = 608.7(2) Å3, Z = 4 at T = 100 K for Tl2SiF6, a = 8.3918(10) Å, V = 591.0(2) Å3, Z = 4 at T = 100 K for Rb2SiF6, and a = 8.8638(11) Å, V = 696.4(3) Å3, Z = 4 at T = 200 K for Cs2SiF6. For the compound Tl3[SiF6]F we present a previously unknown tetragonal modification and correct the crystal structure of its trigonal modification to hexagonal. The tetragonal one crystallizes in the (NH4)3[SiF6]F structure type, space group P4/mbm (No. 127, tP22) with a = 8.0313(8), c = 5.8932(6) Å, V = 380.13(7) Å3, Z = 2, T = 298 K, and the crystal structure of the hexagonal modification is best described in space group P63 mc (No. 186, hP22) with a = 7.8248(4), c = 6.8768(4) Å, V = 364.64(4) Å3, Z = 2, T = 100 K.

Kristallstruktur von K4O(CN)2 / Crystal Structure of K4O(CN)2

1992 ◽  
Vol 47 (12) ◽  
pp. 1746-1748 ◽  
Author(s):  
Christian Hardt ◽  
Petra Vogt ◽  
Horst Sabrowsky
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Type ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Type Space

Colorless K4O(CN)2 has been prepared. The compound crystallizes in the tetragonal anti-K2NiF4 structure type (space group I4/mmm) with a = 515.5(1) and c = 1606.7(3) pm, Z = 2. The structure was determined by single crystal X-ray diffraction, R = 3.35%.

scholarly journals Crystal Structures of New Alkali Metal-rich Oxometallates: Rubidium Aluminate Tetrahydroxide, Rb9(AlO4)(OH)4, Rubidium Orthogallate, Rb5GaO4, Cesiumbis-Chromate(IV) Oxide, Cs10(CrO4)2O, and Cesium Diindate, Cs8In2O7

2010 ◽  
Vol 65 (12) ◽  
pp. 1416-1426 ◽  
Author(s):  
Johannes Bender ◽  
Andreas Wohlfarth ◽  
Constantin Hoch
Keyword(s):  
Crystal Structure ◽  
Oxygen Atom ◽  
Alkali Metal ◽  
Single Crystal ◽  
Temperature Dependence ◽  
Structure Type ◽  
Structure Investigation ◽  
Tetrahedral Symmetry ◽  
Space Group ◽  
Type Space

Several new alkali metal oxometallates with anions built up from tetrahedral [MO4] units were obtained in reactions aimed at the formation of alkali metal suboxometallates or by thermally decomposing the latter. Rubidium orthoaluminate tetrahydroxide Rb9(AlO4)(OH)4 crystallizes with a new structure type (space group P21/c, a = 13.116(1), b = 6.9266(5), c = 18.934(2) A , β = 92.05(1)°, V = 1719.0(3) Å3, Z = 4, R1 = 0.0352) and contains orthoaluminate anions [AlO4]5− and isolated hydroxide anions. Rubidium orthogallate Rb5GaO4 crystallizes with the Na5GaO4 structure type (space group Pbca, a = 6.9318(5), b = 21.309(2), c = 11.740(1) Å, V = 1734.2(3) Å3, Z = 8, R1 = 0.0423) with isolated orthogallate anions [GaO4]5−. Cesium chromate oxide Cs10(CrO4)2O adopts the Cs10(GeO4)2O structure type (space group P21/c, a = 12.903(1), b = 11.4523(8), c = 19.074(3) Å , β = 127.903(8)°,V = 2223.9(4) Å3, Z = 4, R1 = 0.0326) with orthochromate(IV) anions [CrO4]4− and isolated oxide anions. In all orthometallates the anions [MO4]n− deviate only slightly from ideal tetrahedral symmetry. Cesium diindate Cs8In2O7 crystallizes with the Cs8Fe2O7 structure type (space group P21/c, a = 7.4307(6), b = 18.6181(14), c = 7.2639(6) Å , β = 119.225(8)°, V = 877.0(1) Å3, Z = 2, R1 = 0.0349). A single-crystal structure investigation at r. t. has shown linear diindate units, but the temperature dependence of the libration angles from TLS studies for the bridging oxygen atom suggests a slightly bent and dynamically disordered diindate anion.

Crystal Structure of La3OBr[AsO3]2

2010 ◽  
Vol 65 (10) ◽  
pp. 1289-1292 ◽  
Author(s):  
Hamdi Ben Yahia ◽  
Rainer Pöttgen ◽  
Ute Ch. Rodewald
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Lanthanum Oxide ◽  
Ammonium Bromide ◽  
Space Group ◽  
Type Space ◽  
Oxygen Atoms

Colorless needles of the arsenite bromide La3OBr[AsO3]2 were synthesized from ammonium dihydrogen arsenate, ammonium bromide and lanthanum oxide in an NaBr/KBr flux at 900 °C. La3OBr[AsO3]2 crystallizes with the centrosymmetric tetragonal La3OCl[AsO3]2 type, space group P42/mnm. The structure was refined from single-crystal diffractometer data: a = 13.0431(15), c = 5.6127(7) Å , wR2 = 0.0454, 945 F2 values, and 39 variables. It consists of chains of trans-edge-sharing OLa4/2 tetrahedra which are coordinated by [AsO3]3− units via the oxygen atoms

The Crystal Structure of Eu11Sb10

1979 ◽  
Vol 34 (9) ◽  
pp. 1213-1217 ◽  
Author(s):  
R. Schmelczer ◽  
D. Schwarzenbach ◽  
F. Hulliger
Keyword(s):  
Crystal Structure ◽  
Structure Type ◽  
Thermal Parameters ◽  
The Other ◽  
Interatomic Distances ◽  
Space Group ◽  
Type Space ◽  
True Structure

Abstract Eu11Sb10 crystallizes in the tetragonal Ho11Ge10 structure type, space group I4/mmm, with a = 12.325(2), c = 18.024(4) Å; Z = 4. Large thermal parameters of certain atoms and unusual interatomic distances might suggest that the true structure is slightly distorted, but attempts to desymmetrize the structure were unsuccessful. Analogous anomalies occur in most of the other representatives of the Ho11Ge10 type. Eu11Sb10 appears to be metallic. It contains divalent Eu and is antiferromagnetic below TN ≈ 5 K. Other new representatives of the Ho11Ge10 structure type are Sr11Sb10, Sr11Bi10 and Ba11Sb10.

Crystal structure of Sb2Tl7

1977 ◽  
Vol 55 (7) ◽  
pp. 1120-1122 ◽  
Author(s):  
Rolf Stokhuyzen ◽  
Chung Chieh ◽  
William B. Pearson
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Type ◽  
Unit Cell ◽  
Space Group ◽  
Single Crystal Study ◽  
The Mean

The single-crystal study of Sb2Tl7 confirms the work of Morral and Westgren. The crystal is cubic with a = 11.618(6) Å and space group of Im3m. There are 54 atoms per unit cell. It is the only known example of this structure type which can be considered as a true superlattice of CsCl. The structure was determined using 106 observed reflections measured on a G.E. XRD-6 diffractometer. The final R and Rw were 0.097 and 0.060, respectively. The Tl–Tl distances range from 3.21 to 3.55 Å and the mean Sb-Tl distance is 3.27 Å. There is no Sb–Sb contact in the structure

Fehlende Glieder bekannter Reihen: Die Oxoferrate(III) Rb8[Fe2O7], Rb6[Fe2O6] und K4[Fe2O5] / Missing Links in Known Series: The Oxoferrates(III) Rb8[Fe2O7], Rb6[Fe2O6], and K4[Fe2O5]

2005 ◽  
Vol 60 (7) ◽  
pp. 732-740 ◽  
Author(s):  
Gero Frisch ◽  
Caroline Röhr
Keyword(s):  
Single Crystal ◽  
Structure Type ◽  
Potassium Ferrate ◽  
X Ray Diffraction ◽  
Marked Contrast ◽  
Ionic Radii ◽  
Space Group ◽  
X Ray ◽  
Type Space ◽  
Alkaline Cations

The title compounds were synthesized at temperatures between 775 and 1175 K from (mostly stoichiometric) mixtures of Fe2O3, elemental rubidium or potassium (A) and their hyperoxides AO2. The structures have been determined by single crystal X-ray diffraction. The alkaline rich ferrate(III) Rb8[Fe2O7] (Cs8[Fe2O7] structure type, space group P21/c, a = 696.7, b = 1722.1, c = 692.0 pm, β = 119.40°, Z = 2, R1 = 0.0496) exhibits diferrate anions [Fe2O7]8- composed of two vertexsharing [FeIIIO4] tetrahedra with a linear Fe-O-Fe bridge and nearly ideal 3m symmetry. This is in marked contrast to the Na homologue, where the diferrate anions are decidedly angular. In the series A3[FeO3], the anions in the compounds of the light alkaline cations are chains 1∞[FeO2O2/2]3−, but similar to the isotypic K6[Fe2O6] and to Cs6[Fe2O6] the new ferrate Rb6[Fe2O6] (K6Fe2O6 structure type, space group C2/m, a=741.8(2), b=1148.7(2), c=680.08(12) pm, β =103.65(2)°, Z = 4, R1 = 0.0370) contains isolated binuclear anions [O2FeO2FeO2]6− composed of two edge sharing [FeO4] tetrahedra. The new potassium ferrate of the series A4[Fe2O5], K4[Fe2O5] (space group P21/c, a = 645.91(14), b = 593.69(13), c = 1003.0(2) pm, β = 103.124(4)°, Z = 4, R1 = 0.0355), constitutes a new structure type, but its structure is still closely related to the Na compound, which crystallizes in the isomorphous subgroup P21/n with a doubled a axis. Both compounds are phylloferrates with layers 2∞[Fe2O5]4− consisting of six-membered rings of [FeO4] tetrahedra. In contrast, Rb4[Fe2O5] contains chains of vertex and edge sharing tetrahedra, so that in both series, A3[FeO3] and A4[Fe2O5], the linkedness of the ferrate tetrahedra increases with the ionic radii of the A counterions.

The isotypic family of the diarsenates MM′As2O7 (M = Sr, Ba; M′ = Cd, Hg)

2016 ◽  
Vol 71 (5) ◽  
pp. 403-409 ◽  
Author(s):  
Matthias Weil
Keyword(s):  
Aqueous Solutions ◽  
Single Crystal ◽  
Metal Oxides ◽  
Structure Type ◽  
Hydrothermal Conditions ◽  
Space Group ◽  
X Ray ◽  
Type Space ◽  
Autogenous Pressure

AbstractThe diarsenates MM′As2O7 (M = Sr, Ba; M′ = Cd, Hg) were prepared under hydrothermal conditions (~200 °C, autogenous pressure), starting from As2O5 and the corresponding metal oxides or precursor compounds thereof in aqueous solutions. Structure analyses on the basis of single crystal X-ray data revealed the four structures to be isotypic. They are the first diarsenates to crystallize in the triclinic BaZnP2O7 structure type (space group P1̅, Z = 2, a ≈ 5.8 Å, b ≈ 7.3 Å, c ≈ 7.6 Å, α ≈ 101°, β ≈ 91°, γ ≈ 98°). All related MM′As2O7 diarsenates reported so far (M = Sr, Ba, Pb; M′ = Mg, Co, Cu, Zn) crystallize in the monoclinic α-Ca2P2O7 structure type (P21/n, Z = 4). Hence, the size of the divalent M′ cation determines which of the two structure types is adopted.

Crystal Structure of the New Ternary Antimonide Ho5GaSb3

2009 ◽  
Vol 64 (8) ◽  
pp. 909-914 ◽  
Author(s):  
Iryna Antonyshyn ◽  
Olga Zhak ◽  
Stepan Oryshchyn ◽  
Volodymyr Babizhetskyy ◽  
Constantin Hoch ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Type ◽  
Crystal Data ◽  
Space Group ◽  
X Ray ◽  
Partially Ordered ◽  
Data Space ◽  
Ternary Derivative

The crystal structure of the new ternary antimonide Ho5GaSb3 has been determined from X-ray single-crystal data: space group Pnma, a = 7.9667(8), b = 15.128(2), c = 7.9616(8) Å , V = 959.5(3) Å3, Z = 4, RF = 0.059, Rw = 0.066 for 9020 reflections. The crystal structure of Ho5GaSb3 is a ternary derivative of the Sm5Ge4 structure type with partially ordered distribution of gallium and antimony atoms

scholarly journals Single-crystal investigation of the compound SmNi5.2Mn6.8

2020 ◽  
Vol 75 (3) ◽  
pp. 303-307
Author(s):  
Bohdana Belan ◽  
Dorota Kowalska ◽  
Mykola Manyako ◽  
Mariya Dzevenko ◽  
Yaroslav Kalychak
Keyword(s):  
Crystal Structure ◽  
Intermetallic Compound ◽  
Single Crystal ◽  
Diffraction Data ◽  
Structure Type ◽  
Tetragonal Structure ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Arc Melting

AbstractThe intermetallic compound SmNi5.2Mn6.8 was synthesized by arc-melting and its crystal structure has been determined using single-crystal X-ray diffraction data. The compound adopts the tetragonal structure type ThMn12: space group I4/mmm, Pearson code tI26, Z = 2; a = 8.6528(3), c = 4.8635(3) Å; R1 = 0.0175, wR2 = 0.0372, 171 F2 values, 17 refined variables. The two crystallographic positions 8f and 8j in the structure of SmNi5.2Mn6.8 are occupied by a mixture of Mn and Ni atoms.

Methanolothermale Synthese und Kristallstruktur von Tetraselenidoarsenaten( V) und -antimonaten(V) des Rubidiums und Cäsiums / Methanolothermal Synthesis and Crystal Structure of Tetraselenidoarsenates(V) and -antimonates(V) of Rubidium and Cesium

1996 ◽  
Vol 51 (1) ◽  
pp. 32-36 ◽  
Author(s):  
Michael Wachhold ◽  
William S. Sheldrick
Keyword(s):  
Crystal Structure ◽  
Structure Type ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Type Space

Abstract Tetraselenidoarsenates(V) and -antimonates(V), Rubidium, Cesium, Methanolothermal Synthesis, Crystal Structure Methanolothermal reaction of M2CO3 (M = Rb, Cs) with E2Se3 (E = As, Sb) and Se at temperatures in the range 180 -200°C leads to the formation of tetraselenidoarsenates(V) and -antimonates(V) M3ESe4 in moderate to quantitative yields. All four compounds crystallize in the (NH4)3AsS4 structure type (space group Pnma) and contain isolated slightly distorted tetrahedral ESe3-4 anions with crystallographic CS symmetry. Both of the independent cations are coordinated in an irregular manner by seven Se atoms.

Sign in / Sign up

Export Citation Format

Share Document