Inorganic Solid Phases

K4Re6Se8(OH)6·8H2O (K2Re3Se4[OH]3[H2O]4, T = 170(2) K) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): K2Re3Se4[OH]3[H2O]4
  • Structure Class(es): Chevrel phase
  • Classification by Properties: nonmetal
  • Mineral Name(s): –
  • Pearson Symbol: aP32
  • Space Group: 2
  • Phase Prototype: K2Re3Se4[OH]3[H2O]4
  • Measurement Detail(s): automatic diffractometer; 3251 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 170(2) K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, selenide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 146 variables; 2461 reflections; I > 2σ(I), R = 0.0329; wR = 0.0908
  • Sample Detail(s): sample prepared from Re6Se8Br2, KOH, electron microprobe analysis; K4.1Re6Se7.98, single crystal (determination of cell parameters), single crystal, 0.02×0.06×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K2Re3Se4[OH]3[H2O]4
  • Alphabetic Formula: [H2O]4K2[OH]3Re3Se4
  • Published Formula: K4Re6Se8(OH)6·8H2O
  • Refined Formula: H11K2O7Re3Se4
  • Wyckoff Sequence: 2,i16
  • Z Formula Units: 2
  • Density: ρ = 4.99 Mg·m−3
View 3D Interactive Structure

Cite this page

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_1215853

  • 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

    Download this citation

    Citation copied