Inorganic Solid Phases

Sr4FeCrO6CO3 (Sr4CrFe[CO3]O6) Crystal Structure

General Information

  • Phase Label(s): Sr4CrFe[CO3]O6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI48
  • Space Group: 139
  • Phase Prototype: Sr4(Cr0.5Fe0.5)2[CO3]O6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), neutrons; λ = 0.2398 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RP = 0.047; wRP = 0.064; RB = 0.041
  • Sample Detail(s): sample prepared from Fe2O3 (hematite), Cr2O3, SrO, SrCO3, amounts of SrCO3 (2 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr4CrFe[CO3]O6
  • Alphabetic Formula: [CO3]CrFeO6Sr4
  • Published Formula: Sr4FeCrO6CO3
  • Refined Formula: CCrFeO9Sr4
  • Wyckoff Sequence: 139,nge6
  • Z Formula Units: 2
  • Density: ρ = 4.86 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_1520045

  • 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