Inorganic Solid Phases

CuTh2(PO4)3 (CuTh2[PO4]3) Crystal Structure

General Information

  • Phase Label(s): CuTh2[PO4]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS72
  • Space Group: 15
  • Phase Prototype: CuTh2[PO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D1A (determination of structural parameters), X-rays, Cu Kα1; λ = 0.1540598 nm (determination of cell parameters), neutrons; λ = 0.18876 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 36 variables; 572 reflections, RP = 0.07; wRP = 0.09; RB = 0.05
  • Sample Detail(s): sample prepared from Th[NO3]4[H2O]5, Cu[NO3]2[H2O]3, [NH4]2HPO4, other phases: Cu2+, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: CuTh2[PO4]3
  • Alphabetic Formula: Cu[PO4]3Th2
  • Published Formula: CuTh2(PO4)3
  • Refined Formula: CuO12P3Th2
  • Wyckoff Sequence: 15,f8ea
  • Z Formula Units: 4
  • Density: ρ = 5.46 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_1413148

  • 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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