Inorganic Solid Phases

Cs5NH4[W4O8(NCS)12]·6H2O (Cs5[NH4]W4[SCN]12O8[H2O]6) Crystal Structure

General Information

  • Phase Label(s): Cs5[NH4]W4[SCN]12O8[H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP224
  • Space Group: 33
  • Phase Prototype: Cs5[NH4]W4[SCN]12O8[H2O]6
  • Measurement Detail(s): automatic diffractometer; 10 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): thiocyanate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 2354 reflections, R = 0.073; wR = 0.080
  • Sample Detail(s): sample prepared from NH4SCN, (HNMe3)2W4O8Cl8[H2O]4[H2O]2, CsCl, chemical analysis; C17.48Cs6.94H22.65N17.73O13.12S16.50W5.59, single crystal (determination of cell parameters), single crystal, 0.14×0.26×0.50 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs5[NH4]W4[SCN]12O8[H2O]6
  • Alphabetic Formula: Cs5[H2O]6[NH4]O8[SCN]12W4
  • Published Formula: Cs5NH4[W4O8(NCS)12]·6H2O
  • Refined Formula: C12Cs5H8N13O10S12W4
  • Wyckoff Sequence: 33,a56
  • Z Formula Units: 4
  • Density: ρ = 3.03 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1904040

  • 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)

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