Inorganic Solid Phases

K0.4Cs1.6Mo3O5(PO4)3 (Cs1.6K0.4Mo3[PO4]3O5) Crystal Structure

General Information

  • Phase Label(s): Cs1.6K0.4Mo3[PO4]3O5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP100
  • Space Group: 14
  • Phase Prototype: Cs2(W0.13Mo0.87)Mo2[PO4]3O5
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 294 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, oxide
  • Interpretation Detail(s): complete structure determined, not specified; 128 variables; 1304 reflections; I > 3σ(I), R = 0.038; wR = 0.032
  • Sample Detail(s): sample prepared from MoO3, [NH4]2HPO4, CsNO3, Mo, K2CO3, chemical analysis; Mo, P, Cs and K content analyzed, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cs1.6K0.4Mo3[PO4]3O5
  • Alphabetic Formula: Cs1.6K0.4Mo3O5[PO4]3
  • Published Formula: K0.4Cs1.6Mo3O5(PO4)3
  • Refined Formula: Cs1.60K0.40Mo3O17P3
  • Wyckoff Sequence: 14,e25
  • Z Formula Units: 4
  • Density: ρ = 3.90 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_1811549

  • 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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