Inorganic Solid Phases

CaFe2.73Al0.12Mn0.07Mg0.04Si2O8(OH) (CaMn0.1Fe2.75Al0.15[Si2O7]O[OH], T = 138 K) Crystal Structure

General Information

  • Phase Label(s): CaMn0.1Fe2.75Al0.15[Si2O7]O[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): ilvaite M
  • Pearson Symbol: mP60
  • Space Group: 14
  • Phase Prototype: CaFe3[Si2O7]O[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.070926 nm (determination of cell and structural parameters), T = 138 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, disilicate, oxide
  • Interpretation Detail(s): complete structure determined; electron density studied, full-matrix least-squares refinement; 1750 reflections; F > 2σ(F), R = 0.024; wR = 0.035
  • Sample Detail(s): ilvaite sample from Italy, Elba Island, chemical analysis; CaFe2.73Al0.12Mn0.07Mg0.04Si2O8[OH], single crystal (determination of cell parameters), single crystal, 0.10×0.13×0.13 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CaMn0.1Fe2.75Al0.15[Si2O7]O[OH]
  • Alphabetic Formula: Al0.15CaFe2.75Mn0.1O[OH][Si2O7]
  • Published Formula: CaFe2.73Al0.12Mn0.07Mg0.04Si2O8(OH)
  • Refined Formula: Al0.15CaFe2.75HMn0.10O9Si2
  • Wyckoff Sequence: 14,e15
  • Z Formula Units: 4
  • Density: ρ = 4.03 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1616088

  • 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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