Inorganic Solid Phases

K12[Cu3(H2O)(B-β-GeW9O33(OH))(B-β-GeW8O30(OH))]·31H2O (K12Cu3W17[GeO4]2O55[OH]2[H2O]32, T = 173(2) K) Crystal Structure

General Information

  • Phase Label(s): K12Cu3W17[GeO4]2O55[OH]2[H2O]32
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP510
  • Space Group: 2
  • Phase Prototype: K12Cu3W17[GeO4]2O55[OH]2[H2O]32
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 173(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthogermanate, hydroxide, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 1316 variables; 23998 reflections; I > 2σ(I), R = 0.050; wR = 0.127
  • Sample Detail(s): sample prepared from CuCl2[H2O]2, K8[γ-GeW10O36][H2O]6, chemical analysis; 8.7 wt.% K, 55.2 wt.% W, 3.5 wt.% Cu, 2.7 wt.% Ge, single crystal (determination of cell parameters), single crystal, 0.04×0.08×0.34 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K12Cu3W17[GeO4]2O55[OH]2[H2O]32
  • Alphabetic Formula: Cu3[GeO4]2[H2O]32K12O55[OH]2W17
  • Published Formula: K12[Cu3(H2O)(B-β-GeW9O33(OH))(B-β-GeW8O30(OH))]·31H2O
  • Refined Formula: Cu3Ge2H45K11O87W17
  • Wyckoff Sequence: 2,i255
  • Z Formula Units: 4
  • Density: ρ = 4.44 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_1125179

  • 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

    Citation copied