Inorganic Solid Phases

Ca1.00(Fe0.67Mn0.16Mg0.17)Si2O6 (CaMg0.17Mn0.16Fe0.67Si2O6, p = 1.9(1) GPa) Crystal Structure

General Information

  • Phase Label(s): CaMg0.17Mn0.16Fe0.67Si2O6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): hedenbergite
  • Pearson Symbol: mS40
  • Space Group: 15
  • Phase Prototype: CaMgSi2O6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Advanced Photon Source, GSECARS, 13-BM-D beamline (determination of structural parameters), X-rays, synchrotron; λ = 0.03033 nm (determination of cell and structural parameters), p = 1.9(1) GPa (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined; pressure dependence studied, least-squares refinement; 35 variables; 206 reflections, R = 0.0526; wR = 0.1023
  • Sample Detail(s): hedenbergite sample from (U.S.A. Arizona, Arizona University, Mineralogical Museum), sample prepared from hedenbergite, electron microprobe analysis; Ca1.00(Fe0.67Mn0.16Mg0.17)Si2O6, single crystal (determination of cell parameters), single crystal, 0.005×0.025×0.025 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CaMg0.17Mn0.16Fe0.67Si2O6
  • Alphabetic Formula: CaFe0.67Mg0.17Mn0.16O6Si2
  • Published Formula: Ca1.00(Fe0.67Mn0.16Mg0.17)Si2O6
  • Refined Formula: CaFe0.82Mg0.18O6Si2
  • Wyckoff Sequence: 15,f4e2
  • Z Formula Units: 4
  • Density: ρ = 3.64 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_1238911

  • 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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