Inorganic Solid Phases

Ca2(Mn,Mg)(PO4)2(H2O)2 (Ca2Mn[PO4]2[H2O]2) Crystal Structure

General Information

  • Phase Label(s): Ca2Mn[PO4]2[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): fairfieldite
  • Pearson Symbol: aP15
  • Space Group: 2
  • Phase Prototype: Ca2Mn[PO4]2[H2O]2
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement, R = 0.017; wR = 0.047
  • Sample Detail(s): fairfieldite sample from U.S.A. North Carolina, Cleavland County, King's Mountain, Foote mine, electron microprobe analysis; 39.34 wt.% P2O5, 30.60 wt.% CaO, 14.26 wt.% MnO, 4.49 wt.% FeO, 0.06 wt.% MgO, 9.89 wt.% H2O, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca2Mn[PO4]2[H2O]2
  • Alphabetic Formula: Ca2[H2O]2Mn[PO4]2
  • Published Formula: Ca2(Mn,Mg)(PO4)2(H2O)2
  • Refined Formula: Ca2H4MnO10P2
  • Wyckoff Sequence: 2,i7d
  • Z Formula Units: 1
  • Density: ρ = 3.10 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1123485

  • 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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