Inorganic Solid Phases

(Ca0.9Mn2+0.1)(Fe2+0.83Fe3+0.17)(Fe2+0.17Fe3+0.83)(Mn2+0.51Fe2+0.49)(Si2O7)O(OH) (Ca0.9Mn0.61Fe2.49[Si2O7]O[OH]) Crystal Structure

General Information

  • Phase Label(s): Ca0.9Mn0.61Fe2.49[Si2O7]O[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): manganilvaite
  • Pearson Symbol: mP60
  • Space Group: 14
  • Phase Prototype: CaFe3[Si2O7]O[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS P4 SMART (determination of structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, disilicate, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; I > 2σ(I), R = 0.034; wR = 0.035
  • Sample Detail(s): manganilvaite sample from Bulgaria, Rhodope Mountains, Ossikovo deposit, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca0.9Mn0.61Fe2.49[Si2O7]O[OH]
  • Alphabetic Formula: Ca0.9Fe2.49Mn0.61O[OH][Si2O7]
  • Published Formula: (Ca0.9Mn2+0.1)(Fe2+0.83Fe3+0.17)(Fe2+0.17Fe3+0.83)(Mn2+0.51Fe2+0.49)(Si2O7)O(OH)
  • Refined Formula: CaFe2.44HMn0.56O9Si2
  • Wyckoff Sequence: 14,e15
  • Z Formula Units: 4
  • Density: ρ = 4.05 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
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_1322240

  • 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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