Inorganic Solid Phases

(Cs_3.5Rb_0.5)[(Se_0.85S_0.15)O₃]₂[Te(OH)₆]₃ (Cs_3.5Rb_0.5Te₃[SeO₃]_1.7[SO₃]_0.3[OH]₁₈) Crystal Structure

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General Information

Phase Label(s): Cs_3.5Rb_0.5Te₃[SeO₃]_1.7[SO₃]_0.3[OH]₁₈
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: oP132
Space Group: 56
Phase Prototype: (Cs_0.88Rb_0.12)₄Te₃[(Se_0.85S_0.15)O₃]₂[OH]₁₈
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4F (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): hydroxide, sulfite, trioxoselenate(IV)
Interpretation Detail(s): complete structure determined, least-squares refinement; 118 variables; 1216 reflections; I > 3σ(I), R = 0.039; wR = 0.040
Sample Detail(s): sample prepared from Rb₂SeO₄, Cs₂SeO₄, Cs₂SO₄, Rb₂SO₄, H₆TeO₆, inductive coupled plasma method; 26.14 wt.% Te, 32.50 wt.% Cs, 2.801 wt.% Rb, 9.24 wt.% Se, 0.5 wt.% S, single crystal (determination of cell parameters), single crystal, 0.15×0.31×0.35 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Cs_3.5Rb_0.5Te₃[SeO₃]_1.7[SO₃]_0.3[OH]₁₈
Alphabetic Formula: Cs_3.5[OH]₁₈Rb_0.5[SO₃]_0.3[SeO₃]_1.7Te₃
Published Formula: (Cs_3.5Rb_0.5)[(Se_0.85S_0.15)O₃]₂[Te(OH)₆]₃
Refined Formula: Cs_3.50H₁₈O₂₄Rb_0.50S_0.30Se_1.70Te₃
Wyckoff Sequence: 56,e¹⁶d
Z Formula Units: 4
Density: ρ = 3.63 Mg·m⁻³

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Crystallographic Data

Cell Parameters

	Published Data	Standardized Data
	Published Data	Unit Cell	Niggli-Reduced Cell
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a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site	Element	Wyckoff Symbol	Symmetry	X	Y	Z	Occupation	Co-ord. No.	Atomic Env.
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Published

Site	Element	Wyckoff Symbol	Symmetry	X	Y	Z	Occupation
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Displacement Parameters

Isotropic

Site	Published U [nm²]	Type	Computed B_eq [nm²]
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Anisotropic

Site	U₁₁ [nm²]	U₂₂ [nm²]	U₃₃ [nm²]	U₁₂ [nm²]	U₁₃ [nm²]	U₂₃ [nm²]
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Experimental Details

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Reference

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3D Interactive Structure

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About this content

Database name

PAULING FILE Multinaries Edition – 2012

Dataset ID

sd_1931566

Copyright

©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

Chief Editor

Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

villars.mpds@bluewin.ch

Credits

SpringerMaterials Release 2016.

Project Coordinator: Shuichi Iwata

Section-Editor: Karin Cenzual (Crystal Structures)

Cite this content

Pierre Villars (Chief Editor), PAULING FILE in: Inorganic Solid Phases, SpringerMaterials (online database), Springer, Heidelberg (ed.) SpringerMaterials (Cs3.5Rb0.5)[(Se0.85S0.15)O3]2[Te(OH)6]3 (Cs3.5Rb0.5Te3[SeO3]1.7[SO3]0.3[OH]18) Crystal Structure sd_1931566 (Springer-Verlag GmbH, Heidelberg, © 2016)

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