Inorganic Solid Phases

(Ca0.96Mn0.02)(Fe2+1.00Fe3+0.93Al0.07)(Fe2+0.50Mn0.50)[Si1.96Al0.04O7]O(OH) (CaMn0.1Fe2.75Al0.15[Si2O7]O[OH]) 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; Rigaku AFC5S (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, disilicate, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 2223 reflections; I > 3σ(I), R = 0.029; wR = 0.039
  • Sample Detail(s): ilvaite sample from Japan, Gifu Prefecture, Maruyama, Kamioka mine, sample prepared from ilvaite, electron microprobe analysis; (Ca0.96Mn0.02)(Fe2+1.00Fe3+0.93Al0.07)(Fe2+0.50Mn0.50)[Si1.96Al0.04]O(OH), single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca0.96Mn0.52Fe2.43Al0.11Si1.96O8[OH]
  • Alphabetic Formula: Al0.11Ca0.96Fe2.43Mn0.52O8[OH]Si1.96
  • Published Formula: (Ca0.96Mn0.02)(Fe2+1.00Fe3+0.93Al0.07)(Fe2+0.50Mn0.50)[Si1.96Al0.04O7]O(OH)
  • Refined Formula: CaFe3HO9Si2
  • Wyckoff Sequence: 14,e15
  • Z Formula Units: 4
  • Density: ρ = 4.01 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_1721573

  • 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

    Citation copied