Inorganic Solid Phases

Sr3.94Ca1.31Bi2.70O12, rt (Sr2Ca0.6Bi1.4O6) Crystal Structure

General Information

  • Phase Label(s): Sr2Ca0.6Bi1.4O6
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP20
  • Space Group: 14
  • Phase Prototype: Ca(Ca0.5Nd0.5)2NbO6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Maryland, Gaithersburg, NIST Center for Neutron Research, NBSR, BT-1 (determination of structural parameters), neutrons; λ = 0.15401(1) nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 62 variables, RP = 0.0345; wRP = 0.0429
  • Sample Detail(s): sample prepared from SrCO3, CaCO3, Bi2O3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr1.97Ca0.65Bi1.35O6
  • Alphabetic Formula: Bi1.35Ca0.65O6Sr1.97
  • Published Formula: Sr3.94Ca1.31Bi2.70O12, rt
  • Refined Formula: Bi1.40Ca0.60O6Sr2
  • Wyckoff Sequence: 14,e4da
  • Z Formula Units: 2
  • Density: ρ = 6.46 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1120160

  • 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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