Inorganic Solid Phases

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

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

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
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.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

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

Experimental Details

Reference

3D Interactive Structure

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.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

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