Inorganic Solid Phases

Ca(Ti0.6Al0.2Sb0.2)OSiO4 (CaTi0.6Al0.2Sb0.2[SiO4]O) Crystal Structure

General Information

  • Phase Label(s): CaTi0.6Al0.2Sb0.2[SiO4]O
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS32
  • Space Group: 15
  • Phase Prototype: CaTi[SiO4]O
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Cu Kα; λ = 0.15406 nm (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RP = 0.142; wRP = 0.160; RB = 0.0432
  • Sample Detail(s): sample prepared from CaCO3, TiO2 rutile, SiO2, Sb2O3 (valentinite), Al[NO3]3[H2O]9, amounts of wollastonite-4A (3.7 wt.%) and Ca2Sb2O7 (0.60 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: CaTi0.6Al0.2Sb0.2[SiO4]O
  • Alphabetic Formula: Al0.2CaOSb0.2[SiO4]Ti0.6
  • Published Formula: Ca(Ti0.6Al0.2Sb0.2)OSiO4
  • Refined Formula: Al0.20CaO5Sb0.20SiTi0.60
  • Wyckoff Sequence: 15,f2e3a
  • Z Formula Units: 4
  • Density: ρ = 3.74 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1628946

  • 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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