Inorganic Solid Phases

(Mg1.74Fe0.16Al0.05Ca0.04Cr0.01)(Si1.94Al0.06)O6 (Ca0.013Mg0.906Cr0.006Fe0.073Al0.019Si0.984O3, p = 12.66 GPa) Crystal Structure

General Information

  • Phase Label(s): Ca0.013Mg0.906Cr0.006Fe0.073Al0.019Si0.984O3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): enstatite
  • Pearson Symbol: oP80
  • Space Group: 61
  • Phase Prototype: MgSiO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Advanced Photon Source, GSECARS, 13-ID-D beamline (determination of structural parameters), X-rays, synchrotron; λ = 0.033440 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters), p = 12.66 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; 53 variables; 254 reflections; I > 2σ(I), R = 0.0357; wR = 0.0872
  • Sample Detail(s): orthoenstatite sample from unknown, electron microprobe analysis; (Mg1.74Fe0.16Al0.05Ca0.04Cr0.01)(Si1.94Al0.06)O6, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca0.02Mg0.87Cr0.005Fe0.08Al0.055Si0.97O3
  • Alphabetic Formula: Al0.055Ca0.02Cr0.005Fe0.08Mg0.87O3Si0.97
  • Published Formula: (Mg1.74Fe0.16Al0.05Ca0.04Cr0.01)(Si1.94Al0.06)O6
  • Refined Formula: Fe0.09Mg0.91O3Si
  • Wyckoff Sequence: 61,c10
  • Z Formula Units: 16
  • Density: ρ = 3.58 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_1229382

  • 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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