Inorganic Solid Phases

Ca3−xMgx(PO4)2, x= 0.39 (Ca2.7Mg0.3[PO4]2) Crystal Structure

General Information

  • Phase Label(s): Ca2.7Mg0.3[PO4]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR276
  • Space Group: 161
  • Phase Prototype: Ca3[AsO4]2
  • Measurement Detail(s): automatic diffractometer; PANalytical X'Pert PRO MPD (determination of structural parameters), X-rays, Cu Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): part of atom coordinates determined, Rietveld refinement, wRP = 0.0177; RB = 0.0399
  • Sample Detail(s): sample prepared from Ca[OH]2, H3PO4, MgCl2[H2O]6, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca2.61Mg0.39[PO4]2
  • Alphabetic Formula: Ca2.61Mg0.39[PO4]2
  • Published Formula: Ca3−xMgx(PO4)2, x= 0.39
  • Refined Formula:
  • Wyckoff Sequence: 161,b3a2
  • Z Formula Units: 21
  • Density: ρ = 3.09 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

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1716931

  • 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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