Inorganic Solid Phases

(Mn0.370Ca0.500Fe0.120Mg0.009)3Si3O9 (Ca0.3Mg0.05Mn0.6Fe0.05SiO3) Crystal Structure

General Information

  • Phase Label(s): Ca0.3Mg0.05Mn0.6Fe0.05SiO3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): bustamite
  • Pearson Symbol: aP30
  • Space Group: 2
  • Phase Prototype: (Ca0.5Fe0.5)SiO3
  • 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; composition dependence studied, least-squares refinement; 1777 reflections, R = 0.036; wR = 0.037
  • Sample Detail(s): bustamite sample from Japan, Iwate Prefecture, Hijikuzu mine, electron microprobe analysis; nominal composition Ca9.94Mn7.41O60.04Si20.01, single crystal (determination of cell parameters), single crystal, 0.26×0.07×0.07 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.5Mg0.01Mn0.37Fe0.12SiO3
  • Alphabetic Formula: Ca0.5Fe0.12Mg0.01Mn0.37O3Si
  • Published Formula: (Mn0.370Ca0.500Fe0.120Mg0.009)3Si3O9
  • Refined Formula: Ca0.52Mn0.48O3Si
  • Wyckoff Sequence: 2,i14da
  • Z Formula Units: 6
  • Density: ρ = 3.34 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_2060552

  • 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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