Inorganic Solid Phases

K2[Re3Os3Se8Cl6][Re4Os2Se7Cl7] (KRe3.5Os2.5Se7.5Cl6.5, T = 161 K) Crystal Structure

General Information

  • Phase Label(s): KRe3.5Os2.5Se7.5Cl6.5
  • Structure Class(es): Chevrel phase
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP84
  • Space Group: 201
  • Phase Prototype: HgMo6Cl14
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 161 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride, selenide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement, R = 0.0224; wR = 0.0309
  • Sample Detail(s): sample prepared from Re, Os, Se, ReCl5, KCl, electron microprobe analysis; K0.89Re3.58Os2.42Se7.41Cl7.08, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: KRe3.5Os2.5Se7.5Cl6.5
  • Alphabetic Formula: Cl6.5KOs2.5Re3.5Se7.5
  • Published Formula: K2[Re3Os3Se8Cl6][Re4Os2Se7Cl7]
  • Refined Formula: Cl6.48KOs2.52Re3.48Se7.52
  • Wyckoff Sequence: 201,h3eb
  • Z Formula Units: 4
  • Density: ρ = 6.08 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_1110849

  • 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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