Inorganic Solid Phases

(Sr0.8Ca0.2)5Co4O12 (Sr4CaCo4O12, T = 300 K) Crystal Structure

General Information

  • Phase Label(s): Sr4CaCo4O12
  • Structure Class(es):
  • Classification by Properties: ferromagnet FM, metal, nonmetal
  • Mineral Name(s):
  • Pearson Symbol: hP126
  • Space Group: 158
  • Phase Prototype: (Sr0.8Ca0.2)5Co4O12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; PANalytical X'Pert PRO MPD (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters), T = 300 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase; 42 variables, RP = 0.0607; wRP = 0.0824
  • Sample Detail(s): sample prepared from CaCO3, Co3O4, SrCO3, amounts of SrCoO3 (3.9 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr4CaCo4O12
  • Alphabetic Formula: CaCo4O12Sr4
  • Published Formula: (Sr0.8Ca0.2)5Co4O12
  • Refined Formula: Ca0.90Co4O12Sr4.10
  • Wyckoff Sequence: 158,d17c4b4a4
  • Z Formula Units: 6
  • Density: ρ = 5.31 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]

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_1127896

  • 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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