Inorganic Solid Phases

Ca2Al2Mn1−xFexSi3O12(OH), x= 0.25 (Ca2Mn0.5Fe0.5Al2[SiO4][Si2O7]O[OH]) Crystal Structure

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General Information

  • Phase Label(s): Ca2Mn0.5Fe0.5Al2[SiO4][Si2O7]O[OH]
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): clinozoisite
  • Pearson Symbol: mP42
  • Space Group: 11
  • Phase Prototype: Ca2FeAl2[SiO4][Si2O7]O[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku RINT (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, orthosilicate, disilicate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined; composition dependence studied, Rietveld refinement, multiphase, RP = 0.0570; wRP = 0.0751; RB = 0.0138
  • Sample Detail(s): sample prepared from CaCO3, Al2O3, CaFe[AlSiO6], SiO2, MnO2, electron microprobe analysis; Si2.99(4)Al2.11(9)Fe0.12(5)Mn0.78(11)Ca1.99(4) per 12.5 O atoms; amounts of bixbyite (2.0 wt.%), esseneite (2.8 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca2Mn0.75Fe0.25Al2[SiO4][Si2O7]O[OH]
  • Alphabetic Formula: Al2Ca2Fe0.25Mn0.75O[OH][SiO4][Si2O7]
  • Published Formula: Ca2Al2Mn1−xFexSi3O12(OH), x= 0.25
  • Refined Formula: Al2.10Ca2Fe0.12HMn0.78O13Si3
  • Wyckoff Sequence: 11,f3e13ca
  • Z Formula Units: 2
  • Density: ρ = 3.47 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1224812

  • 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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