Inorganic Solid Phases

Ca2Al2.42Fe0.58Si3O13H (Ca2Fe0.7Al2.3[SiO4][Si2O7]O[OH]) Crystal Structure

General Information

  • Phase Label(s): Ca2Fe0.7Al2.3[SiO4][Si2O7]O[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): epidote
  • Pearson Symbol: mP42
  • Space Group: 11
  • Phase Prototype: Ca2FeAl2[SiO4][Si2O7]O[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Co Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, disilicate, oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.064
  • Sample Detail(s): ferroan clinozoisite sample from Greece, Xanthi, electron microprobe analysis; amounts of (Na0.735Cs0.265)2SiF6 (3 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca2Fe0.58Al2.42[SiO4][Si2O7]O[OH]
  • Alphabetic Formula: Al2.42Ca2Fe0.58O[OH][SiO4][Si2O7]
  • Published Formula: Ca2Al2.42Fe0.58Si3O13H
  • Refined Formula: Al2.42Ca2Fe0.58HO13Si3
  • Wyckoff Sequence: 11,f3e13ca
  • Z Formula Units: 2
  • Density: ρ = 3.40 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1120108

  • 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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