Inorganic Solid Phases

KCo2(SeO4)1.93(CrO4)0.07[(OH)(H2O)] (KCo2[CrO4]0.07[SeO4]1.93[OH][H2O]) Crystal Structure

General Information

  • Phase Label(s): KCo2[CrO4]0.07[SeO4]1.93[OH][H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS30
  • Space Group: 12
  • Phase Prototype: NaCu2[SO4]2[OH][H2O]
  • Measurement Detail(s): automatic diffractometer; 6325 (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): chromate, hydroxide, tetraoxoselenate(VI), hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 52 variables; 1269 reflections; F > 4σ(F), R = 0.0187; wR = 0.0456
  • Sample Detail(s): sample prepared from Co[OH]2, K2Cr2O7, SeO2, H2O, energy-dispersive X-ray analysis; 1.5 wt.% CrO3, single crystal (determination of cell parameters), single crystal, 0.035×0.170×0.200 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KCo2[CrO4]0.07[SeO4]1.93[OH][H2O]
  • Alphabetic Formula: Co2[CrO4]0.07[H2O]K[OH][SeO4]1.93
  • Published Formula: KCo2(SeO4)1.93(CrO4)0.07[(OH)(H2O)]
  • Refined Formula: Co2Cr0.07H3KO10Se1.93
  • Wyckoff Sequence: 12,ji4fa
  • Z Formula Units: 2
  • Density: ρ = 3.83 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_1819209

  • 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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