Inorganic Solid Phases

(Fe2+,Mn2+,Ca)3(PO4)2 (Ca0.26Mg0.03Zn0.01Mn1.3Fe1.4[PO4]2) Crystal Structure

General Information

  • Phase Label(s): Ca0.26Mg0.03Zn0.01Mn1.3Fe1.4[PO4]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): graftonite
  • Pearson Symbol: mP52
  • Space Group: 14
  • Phase Prototype: Cd3[AsO4]2
  • Measurement Detail(s): automatic diffractometer; 50 (determination of cell parameters), automatic diffractometer; Bruker AXS P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1489 reflections; F > 5σ(F), R = 0.022; wR = 0.023
  • Sample Detail(s): graftonite sample from Zimbabwe (Southern Rhodesia), Hurungwe, Karoi, Lollington beryl mine, electron microprobe analysis; Mn2+1.297Fe2+1.391Ca0.259Mg0.022Zn0.012P2.007O8, single crystal (determination of cell parameters), single crystal, 0.080×0.080×0.120 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.26Mg0.03Zn0.01Mn1.3Fe1.4[PO4]2
  • Alphabetic Formula: Ca0.26Fe1.4Mg0.03Mn1.3[PO4]2Zn0.01
  • Published Formula: (Fe2+,Mn2+,Ca)3(PO4)2
  • Refined Formula: Ca0.26Fe1.40Mg0.02Mn1.31O8P2Zn0.01
  • Wyckoff Sequence: 14,e13
  • Z Formula Units: 4
  • Density: ρ = 3.81 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_1232401

  • 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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