Inorganic Solid Phases

Ca4[Cu4(H2O)2(OH)4Si2W16O58]·48H2O (Ca2Cu2W8[SiO4]O25[OH]2[H2O]25, T = 193 K) Crystal Structure

General Information

  • Phase Label(s): Ca2Cu2W8[SiO4]O25[OH]2[H2O]25
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP142
  • Space Group: 2
  • Phase Prototype: Ca2Cu2W8[SiO4]O25[OH]2[H2O]25
  • Measurement Detail(s): automatic diffractometer; 12867 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 193 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 457 variables; 7712 reflections; I > 2σ(I), R = 0.0675; wR = 0.1854
  • Sample Detail(s): sample prepared from γ-SiW10, Cu2+, CaCl2, single crystal (determination of cell parameters), single crystal, 0.041×0.060×0.411 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca2Cu2W8[SiO4]O25[OH]2[H2O]25
  • Alphabetic Formula: Ca2Cu2[H2O]25O25[OH]2[SiO4]W8
  • Published Formula: Ca4[Cu4(H2O)2(OH)4Si2W16O58]·48H2O
  • Refined Formula: Ca2Cu2H48O56SiW8
  • Wyckoff Sequence: 2,i71
  • Z Formula Units: 2
  • Density: ρ = 3.87 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_1923268

  • 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