Inorganic Solid Phases

Mn0.81Fe0.07Mg0.06Ca0.05SiO3 (Ca0.715Mg0.21Mn3.975Fe0.10Si5O15) Crystal Structure

General Information

  • Phase Label(s): Ca0.715Mg0.21Mn3.975Fe0.10Si5O15
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): rhodonite
  • Pearson Symbol: aP50
  • Space Group: 2
  • Phase Prototype: CaMn4Si5O15
  • Measurement Detail(s): automatic diffractometer; 12 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 2353 reflections, wR = 0.047
  • Sample Detail(s): rhodonite sample from Japan, Aichi Prefecture, Taguchi mine, single crystal (determination of cell parameters), single crystal, 0.09×0.16×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.05Mg0.05Mn0.8Fe0.1SiO3
  • Alphabetic Formula: Ca0.05Fe0.1Mg0.05Mn0.8O3Si
  • Published Formula: Mn0.81Fe0.07Mg0.06Ca0.05SiO3
  • Refined Formula: Mg0.12Mn0.88O3Si
  • Wyckoff Sequence: 2,i25
  • Z Formula Units: 10
  • Density: ρ = 3.71 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_1214390

  • 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