Inorganic Solid Phases

Cr0.5Al3.92Si1.58O9.79 (Cr0.25Al1.96Si0.79O4.9) Crystal Structure

General Information

  • Phase Label(s): Cr0.25Al1.96Si0.79O4.9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): mullite
  • Pearson Symbol: oP24
  • Space Group: 55
  • Phase Prototype: Na0.5Al3O4.75
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips X'Pert MPD (determination of structural parameters), X-rays, Cu Kα1 (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, wRP = 0.128; RB = 0.128
  • Sample Detail(s): mullite sample from synthetic, sample prepared from Al2O3, SiO2, Cr2O3, X-ray fluorescence spectroscopy; 27.8 wt.% SiO2, 61.9 wt.% Al2O3, 10.3 wt.% Cr2O3; amounts of silicate glass, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cr0.25Al1.96Si0.79O4.9
  • Alphabetic Formula: Al1.96Cr0.25O4.9Si0.79
  • Published Formula: Cr0.5Al3.92Si1.58O9.79
  • Refined Formula: Al1.97Cr0.25O4.90Si0.78
  • Wyckoff Sequence: 55,hg4da
  • Z Formula Units: 2
  • Density: ρ = 3.27 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_1617730

  • 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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