Inorganic Solid Phases

[{K(H2O)}12{CoMo12O24(OH)6(HPO4)4(PO4)4}] (H4K12Mo12Co[PO4]8O24[OH]6[H2O]12) Crystal Structure

General Information

  • Phase Label(s): H4K12Mo12Co[PO4]8O24[OH]6[H2O]12
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR357
  • Space Group: 166
  • Phase Prototype: H4K12Mo12Co[PO4]8O24[OH]6[H2O]12
  • Measurement Detail(s): automatic diffractometer (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 = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, full-matrix least-squares refinement on F2; 97 variables; 1357 reflections; I > 2σ(I), R = 0.0498; wR = 0.0995
  • Sample Detail(s): sample prepared from [NH4]6Mo7O24[H2O], Co(CH3COO)2[H2O]2, CH3COOK[H2O], H3PO4, inductive coupled plasma method; 36.75 wt.% Mo, 14.92 wt.% K, 7.93 wt.% P, 1.90 wt.% Co, single crystal (determination of cell parameters), single crystal, 0.20×0.22×0.24 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H4K12Mo12Co[PO4]8O24[OH]6[H2O]12
  • Alphabetic Formula: [H2O]12Co[OH]6H4[PO4]8K12Mo12O24
  • Published Formula: [{K(H2O)}12{CoMo12O24(OH)6(HPO4)4(PO4)4}]
  • Refined Formula: CoH34K12Mo12O74P8
  • Wyckoff Sequence: 166,i4h9gec3ba
  • Z Formula Units: 3
  • Density: ρ = 2.83 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_1834360

  • 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