Inorganic Solid Phases

Cu3(OD)2(MoO4)2 (Cu3[MoO4]2[OH]0.18[OD]1.82, T = 300 K) Crystal Structure

General Information

  • Phase Label(s): Cu3[MoO4]2[OH]0.18[OD]1.82
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP30
  • Space Group: 14
  • Phase Prototype: Cu3[MoO4]2[OH]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Saclay, Laboratoire Léon Brillouin LLB, ORPHEE reactor, 3T2 (determination of structural parameters), neutrons; λ = 0.12244 nm (determination of cell and structural parameters), T = 300 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): molybdate, hydroxide-D, hydroxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase; 45 variables, RP = 0.0534; wRP = 0.0626; RB = 0.0149
  • Sample Detail(s): sample prepared from Cu[NO3]2[H2O]2.5, Na2MoO4[H2O]2, NaOH, D2O, spectroscopy; amounts of Na2MoO4[D2O]2 (3 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu3[MoO4]2[OH]0.18[OD]1.82
  • Alphabetic Formula: Cu3[MoO4]2[OD]1.82[OH]0.18
  • Published Formula: Cu3(OD)2(MoO4)2
  • Refined Formula: Cu3D1.82H0.18Mo2O10
  • Wyckoff Sequence: 14,e7a
  • Z Formula Units: 2
  • Density: ρ = 4.32 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1211973

  • 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

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