Inorganic Solid Phases

Al2(Al2+2xSi2−2x)O10−2x (Al2.3Si0.7O4.85, T = 1563 K) 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 MPD (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters), T = 1563 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, multiphase, wRP = 0.0623; RB = 0.021
  • Sample Detail(s): mullite sample from synthetic, sample prepared from Al[NO3]3[H2O]9, Si(OC2H5)3, amounts of δ-Al2O3 and θ-Al2O3 (58.9 and 26.9 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Al2.14Si0.86O4.93
  • Alphabetic Formula: Al2.14O4.93Si0.86
  • Published Formula: Al2(Al2+2xSi2−2x)O10−2x
  • Refined Formula: Al2.30O4.85Si0.70
  • Wyckoff Sequence: 55,hg4da
  • Z Formula Units: 2
  • Density: ρ = 3.19 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1601726

  • 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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