Inorganic Solid Phases

Ca0.01Mg0.13Fe0.17Mn6.72Si0.98O12 (Ca0.01Mg0.13Mn6.72Fe0.17[SiO4]O8) Crystal Structure

General Information

  • Phase Label(s): Ca0.01Mg0.13Mn6.72Fe0.17[SiO4]O8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): braunite
  • Pearson Symbol: tI160
  • Space Group: 142
  • Phase Prototype: CaMn6[SiO4]O8
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 486 reflections; I > 1.65σ(I), R = 0.025
  • Sample Detail(s): braunite sample from Sweden, Värmland, Langban, electron microprobe analysis; 0.08 wt.% Ca, 0.54 wt.% Mg, 61.30 wt.% Mn, 1.64 wt.% Fe, 4.48 wt.% Si, single crystal (determination of cell parameters), single crystal, 0.35 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.01Mg0.13Mn6.72Fe0.17[SiO4]O8
  • Alphabetic Formula: Ca0.01Fe0.17Mg0.13Mn6.72O8[SiO4]
  • Published Formula: Ca0.01Mg0.13Fe0.17Mn6.72Si0.98O12
  • Refined Formula: Ca0.01Fe0.18Mg0.13Mn6.68O12Si
  • Wyckoff Sequence: 142,g3fecba
  • Z Formula Units: 8
  • Density: ρ = 4.81 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

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1615826

  • 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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