Inorganic Solid Phases

(Mg1.38Fe0.60Ca0.01Cr0.01)(Si0.99Al0.01)O4 (Ca0.01Mg1.38Cr0.01Fe0.60[SiO4], T = 648 K) Crystal Structure

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General Information

  • Phase Label(s): Ca0.01Mg1.38Cr0.01Fe0.60[SiO4]
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oP28
  • Space Group: 62
  • Phase Prototype: Mg2[SiO4]
  • Measurement Detail(s): automatic diffractometer; 12 (determination of cell parameters), diffractometer; Picker (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 648 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthosilicate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, least-squares refinement; 647 reflections, R = 0.031; wR = 0.037
  • Sample Detail(s): fayalite sample from Moon, electron microprobe analysis; 36.70 wt.% SiO2, 35.03 wt.% MgO, 26.87 wt.% FeO, 0.42 wt.% Al2O3, 0.43 wt.% Cr2O3, 0.31 wt.% CaO et al., single crystal (determination of cell parameters), single crystal, 0.12 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.01Mg1.38Cr0.01Fe0.60[SiO4]
  • Alphabetic Formula: Ca0.01Cr0.01Fe0.60Mg1.38[SiO4]
  • Published Formula: (Mg1.38Fe0.60Ca0.01Cr0.01)(Si0.99Al0.01)O4
  • Refined Formula: Ca0.01Cr0.01Fe0.60Mg1.38O4Si
  • Wyckoff Sequence: 62,dc4a
  • Z Formula Units: 4
  • Density: ρ = 3.55 Mg·m−3
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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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1615585

  • 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)

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