Inorganic Solid Phases

(Na,Ca)Mn(Fe,Al)2(PO4)3 (Na0.84Ca0.32MnFe1.48Al0.52[PO4]3) Crystal Structure

General Information

  • Phase Label(s): Na0.84Ca0.32MnFe1.48Al0.52[PO4]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): alluaudite
  • Pearson Symbol: mS80
  • Space Group: 15
  • Phase Prototype: Na2Cd(Mn0.5Fe0.5)2[PO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX II (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 99 variables; 1074 reflections; I > 2σ(I), R = 0.019; wR = 0.048
  • Sample Detail(s): alluaudite sample from Rwanda, Buranga, electron microprobe analysis; (Na0.76Ca0.40)(Mn1.00)[Fe3+1.73Mg0.04Mn0.04]P3.00O12, single crystal (determination of cell parameters), single crystal, 0.06×0.15×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.84Ca0.32MnFe1.48Al0.52[PO4]3
  • Alphabetic Formula: Al0.52Ca0.32Fe1.48MnNa0.84[PO4]3
  • Published Formula: (Na,Ca)Mn(Fe,Al)2(PO4)3
  • Refined Formula: Al0.52Ca0.32Fe1.48MnNa0.84O12P3
  • Wyckoff Sequence: 15,f8e3b
  • Z Formula Units: 4
  • Density: ρ = 3.55 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_1011150

  • 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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