Inorganic Solid Phases

Cs3[Re5OsSe8(OH)6]·11H2O (Cs3Re5OsSe8[OH]6[H2O]11, T = 173 K) Crystal Structure

General Information

  • Phase Label(s): Cs3Re5OsSe8[OH]6[H2O]11
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP148
  • Space Group: 86
  • Phase Prototype: Cs3Re5OsSe8[OH]6[H2O]11
  • Measurement Detail(s): automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 173 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 172 variables; 2448 reflections; I > 2σ(I), R = 0.0531; wR = 0.1156
  • Sample Detail(s): sample prepared from CsOH, Cs3[Re5OsSe8Cl6][H2O]2, energy-dispersive X-ray analysis; Cs/Re/Os/Se ratio 2.9/5/1.1/6.9, single crystal, 0.22×0.22×0.48 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs3Re5OsSe8[OH]6[H2O]11
  • Alphabetic Formula: Cs3[H2O]11[OH]6OsRe5Se8
  • Published Formula: Cs3[Re5OsSe8(OH)6]·11H2O
  • Refined Formula: Cs2.98H28O17Os1.02Re4.98Se8
  • Wyckoff Sequence: 86,g18e
  • Z Formula Units: 4
  • Density: ρ = 4.92 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_1021733

  • 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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