Inorganic Solid Phases

Ca3Co2−xMnxO6, x= 1 (Ca3MnCoO6, T = 8 K) Crystal Structure

General Information

  • Phase Label(s): Ca3MnCoO6
  • Structure Class(es):
  • Classification by Properties: antiferromagnet AFM
  • Mineral Name(s):
  • Pearson Symbol: hR66
  • Space Group: 167
  • Phase Prototype: Ca3Co2O6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Norway, Kjeller, Institute for Energy Technology, JEEP II reactor (determination of structural parameters), neutrons; λ = 0.15554 nm (determination of cell and structural parameters), T = 8 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied; magnetic structure determined; temperature dependence studied, Rietveld refinement, RP = 0.0415; wRP = 0.0537
  • Sample Detail(s): sample prepared from CaCO3, Co(CH3COO)2[H2O]4, C3H4[OH](COOH)3[H2O], Mn[NO3]2[H2O]4, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca3MnCoO6
  • Alphabetic Formula: Ca3CoMnO6
  • Published Formula: Ca3Co2−xMnxO6, x= 1
  • Refined Formula: Ca3Co0.98Mn1.02O6
  • Wyckoff Sequence: 167,feba
  • Z Formula Units: 6
  • Density: ρ = 4.33 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1222705

  • 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