Inorganic Solid Phases

Th1/4Zr2(PO4)3 (Th0.75Zr6[PO4]9) Crystal Structure

General Information

  • Phase Label(s): Th0.75Zr6[PO4]9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP104
  • Space Group: 165
  • Phase Prototype: LaZr6[PO4]9
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, synchrotron; λ = 0.082456(6) nm (determination of cell and structural parameters), T = 298(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 42 variables, RP = 0.0713; wRP = 0.0925
  • Sample Detail(s): powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Th0.75Zr6[PO4]9
  • Alphabetic Formula: [PO4]9Th0.75Zr6
  • Published Formula: Th1/4Zr2(PO4)3
  • Refined Formula: O36P9Th0.75Zr6
  • Wyckoff Sequence: 165,g7fd2cb
  • Z Formula Units: 2
  • Density: ρ = 3.40 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_1125263

  • 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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