Inorganic Solid Phases

(Al1.636Fe0.280Ti0.084)(Al2.647Fe0.005Si1.348)O9.7208 (Ti0.042Fe0.1425Al2.1415Si0.674O4.8604) Crystal Structure

General Information

  • Phase Label(s): Ti0.042Fe0.1425Al2.1415Si0.674O4.8604
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • 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 PRO MPD (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, RP = 0.0768; wRP = 0.1134
  • Sample Detail(s): sample prepared from bauxite, energy-dispersive X-ray analysis; 66.82 wt.% Al2O3, 24.58 wt.% SiO2, 6.27 wt.% Fe2O3, 2.32 wt.% TiO2; amounts aluminium titanate, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ti0.042Fe0.1425Al2.1415Si0.674O4.8604
  • Alphabetic Formula: Al2.1415Fe0.1425O4.8604Si0.674Ti0.042
  • Published Formula: (Al1.636Fe0.280Ti0.084)(Al2.647Fe0.005Si1.348)O9.7208
  • Refined Formula: Al2.14Fe0.14O4.86Si0.67Ti0.04
  • Wyckoff Sequence: 55,hg4da
  • Z Formula Units: 2
  • Density: ρ = 3.23 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_1837729

  • 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

    Citation copied