Inorganic Solid Phases

Mg0.5Zr2(PO4)3 (Mg0.5Zr2[PO4]3 mon, T = 1023 K) Crystal Structure

General Information

  • Phase Label(s): Mg0.5Zr2[PO4]3 mon
  • Structure Class(es): Nasicon family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP72
  • Space Group: 14
  • Phase Prototype: LiZr2[PO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE STADI MP (determination of structural parameters), X-rays, Cu Kα1 (determination of cell and structural parameters), T = 1023 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement; 87 variables; 840 reflections, RP = 0.0434; wRP = 0.0560; RB = 0.0147
  • Sample Detail(s): sample prepared from ZrCl2O[H2O]8, H3[PO4], Mg[NO3]2, electron microprobe analysis; Mg0.48(2)Zr2.07(4)P2.94(4)O12, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mg0.5Zr2[PO4]3
  • Alphabetic Formula: Mg0.5[PO4]3Zr2
  • Published Formula: Mg0.5Zr2(PO4)3
  • Refined Formula: Mg0.50O12P3Zr2
  • Wyckoff Sequence: 14,e18
  • Z Formula Units: 4
  • Density: ρ = 3.24 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_1603177

  • 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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