Inorganic Solid Phases

Sr1.975Ce0.025BaAl0.5Si0.5O4.5F0.5 (BaSr1.975Ce0.025Al0.5Si0.5O4.5F0.5 tet2) Crystal Structure

General Information

  • Phase Label(s): BaSr1.975Ce0.025Al0.5Si0.5O4.5F0.5 tet2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI36
  • Space Group: 140
  • Phase Prototype: BaSr2AlO4F
  • Measurement Detail(s): automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Advanced Photon Source, XSD-SRS, 11-BM-B beamline (determination of structural parameters), X-rays, synchrotron; λ = 0.0424629 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, fluoride
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement
  • Sample Detail(s): sample prepared from SrCO3, CeO2, BaCO3, BaF2, Al2O3, SiO2, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: BaSr1.975Ce0.025Al0.5Si0.5O4.5F0.5
  • Alphabetic Formula: Al0.5BaCe0.025F0.5O4.5Si0.5Sr1.975
  • Published Formula: Sr1.975Ce0.025BaAl0.5Si0.5O4.5F0.5
  • Refined Formula: Al0.50Ba0.99FO4Si0.50Sr2.01
  • Wyckoff Sequence: 140,lhcba
  • Z Formula Units: 4
  • Density: ρ = 5.22 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_1022185

  • 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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