Inorganic Solid Phases

Ca3Mn2[SiO4]2[O4H4] (Ca3Mn2[SiO4]2[OH]4, p = 31.02(5) GPa) Crystal Structure

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General Information

  • Phase Label(s): Ca3Mn2[SiO4]2[OH]4
  • Structure Class(es): garnet family
  • Classification by Properties: –
  • Mineral Name(s): henritermierite
  • Pearson Symbol: tI160
  • Space Group: 142
  • Phase Prototype: Ca0.8Mg0.2Mn0.1Fe1.9Al2[SiO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Hamburg, Deutsches Elektronen-Synchrotron DESY, PETRA III reactor, P02.2 beamline, ECB (determination of structural parameters), X-rays, synchrotron; λ = 0.02893 nm (determination of cell and structural parameters), p = 31.02(5) GPa (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, orthosilicate
  • Interpretation Detail(s): positions of non-H atoms determined; pressure dependence studied, least-squares refinement; 38 variables; 811 reflections; I > 2σ(I), R = 0.0769
  • Sample Detail(s): henritermierite sample from South Africa, Northern Cape Province, Kalahari manganese field, N'Chwaning mine, sample prepared from henritermierite, electron microprobe analysis; (Ca2.98Na0.01Mg0.01)(Mn1.95Fe0.01Al0.04)[SiO4]2.07[O4H4]0.93, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca3Mn2[SiO4]2[OH]4
  • Alphabetic Formula: Ca3[OH]4[SiO4]2Mn2
  • Published Formula: Ca3Mn2[SiO4]2[O4H4]
  • Refined Formula: Al0.08Ca3H4Mn1.92O12Si2.02
  • Wyckoff Sequence: 142,g3e2cba
  • Z Formula Units: 8
  • Density: ρ = 4.18 Mg·m−3
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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_1723026

  • 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)

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