Inorganic Solid Phases

Ca0.4Mg1.2Mn2+7.2Mn3+0.5Fe3+2.7(OH)3.2(H2O)8.8(PO4)8 (Ca0.1Mg0.3Mn1.925Fe0.675[PO4]2[OH]0.8[H2O]2.2) Crystal Structure

General Information

  • Phase Label(s): Ca0.1Mg0.3Mn1.925Fe0.675[PO4]2[OH]0.8[H2O]2.2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): landesite
  • Pearson Symbol: oP64
  • Space Group: 60
  • Phase Prototype: Fe3[PO4]2[OH]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Picker FACS-I (determination of structural parameters), X-rays, Mo Kα; λ = 0.070926 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1821 reflections, R = 0.052; wR = 0.041
  • Sample Detail(s): landesite sample from (U.S.A. Massachusetts, Cambridge, Harvard University, Mineralogical Museum), chemical analysis, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca0.1Mg0.3Mn1.925Fe0.675[PO4]2[OH]0.8[H2O]2.2
  • Alphabetic Formula: Ca0.1Fe0.675[H2O]2.2Mg0.3Mn1.925[OH]0.8[PO4]2
  • Published Formula: Ca0.4Mg1.2Mn2+7.2Mn3+0.5Fe3+2.7(OH)3.2(H2O)8.8(PO4)8
  • Refined Formula: Ca0.10Fe0.68H5.19Mg0.30Mn1.93O11P2
  • Wyckoff Sequence: 60,d7ca
  • Z Formula Units: 4
  • Density: ρ = 3.21 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1813840

  • 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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