Inorganic Solid Phases

Ba3[Co(OH)6Mo6O18]2·20H2O (Ba3Mo12Co2O36[OH]12[H2O]20) Crystal Structure

General Information

  • Phase Label(s): Ba3Mo12Co2O36[OH]12[H2O]20
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP170
  • Space Group: 2
  • Phase Prototype: Ba3Mo12Co2O36[OH]12[H2O]20
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nicolet P3F (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 296 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 925 variables; 10142 reflections, R = 0.042
  • Sample Detail(s): single crystal (determination of cell parameters), single crystal, 0.34×0.36×0.42 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba3Mo12Co2O36[OH]12[H2O]20
  • Alphabetic Formula: Ba3Co2[H2O]20Mo12O36[OH]12
  • Published Formula: Ba3[Co(OH)6Mo6O18]2·20H2O
  • Refined Formula: Ba3Co2H52Mo12O68
  • Wyckoff Sequence: 2,i84gc
  • Z Formula Units: 2
  • Density: ρ = 3.15 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1014208

  • 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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