Inorganic Solid Phases

[Re₆S₈(H₂O)₆][Re₆S₆Br₈]·10H₂O (Re₆S₇Br₄[H₂O]₈, T = 153 K) Crystal Structure

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General Information

Phase Label(s): Re₆S₇Br₄[H₂O]₈
Structure Class(es): Chevrel phase
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: aP50
Space Group: 2
Phase Prototype: Re₆S₇Br₄[H₂O]₈
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker-Nonius X8 APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 153 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): bromide, sulfide, hydrate
Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 231 variables; F² > 2σ(F²), R = 0.0463; wR = 0.1346
Sample Detail(s): sample prepared from K₄(Re₆S₈[OH]₈)[H₂O]₈, K₂[Re₆S₆Br₈], chemical analysis, energy-dispersive X-ray analysis; 0.71 wt.% H, 6.64 wt.% O, 12.49 wt.% S, single crystal (determination of cell parameters), single crystal, 0.01×0.06×0.16 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Re₆S₇Br₄[H₂O]₈
Alphabetic Formula: Br₄[H₂O]₈Re₆S₇
Published Formula: [Re₆S₈(H₂O)₆][Re₆S₆Br₈]·10H₂O
Refined Formula: Br₄H₁₆O₈Re₆S₇
Wyckoff Sequence: 2,i²⁵
Z Formula Units: 2
Density: ρ = 5.05 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_1923209

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 [Re6S8(H2O)6][Re6S6Br8]·10H2O (Re6S7Br4[H2O]8, T = 153 K) Crystal Structure sd_1923209 (Springer-Verlag GmbH, Heidelberg, © 2016)

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