Inorganic Solid Phases

Al4+2xSi2−2xO10−x, x= 0.320(9) (Al2.3Si0.7O4.85) Crystal Structure

General Information

  • Phase Label(s): Al2.3Si0.7O4.85
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): mullite
  • Pearson Symbol: oP24
  • Space Group: 55
  • Phase Prototype: Al(Al0.7Si0.3)2O4.8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips X'Pert APD PW3710 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RP = 0.045; wRP = 0.066
  • Sample Detail(s): mullite sample from synthetic, electron microprobe analysis; 60.0 wt.% Al2O3, 35.0 wt.% SiO2, 1.6 wt.% P2O5, 1.4 wt.% TiO2, 0.9 wt.% Fe3O4, 0.3 wt.% MgO, 0.3 wt.% Na2O, 0.2 wt.% K2O, 0.2 wt.% CaO; amounts of cristobalite (0.04(3) wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Al2.32Si0.68O4.84
  • Alphabetic Formula: Al2.32O4.84Si0.68
  • Published Formula: Al4+2xSi2−2xO10−x, x= 0.320(9)
  • Refined Formula: Al2.32O4.84Si0.68
  • Wyckoff Sequence: 55,hg4da
  • Z Formula Units: 2
  • Density: ρ = 3.15 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_1626014

  • 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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