Inorganic Solid Phases

Hg0.6V0.4Sr4Cu2(CO3)O6+z (Sr4Cu2Hg0.6V0.4[CO3]O6.6) Crystal Structure

General Information

  • Phase Label(s): Sr4Cu2Hg0.6V0.4[CO3]O6.6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP21
  • Space Group: 123
  • Phase Prototype: Sr4Cu2(Hg0.5Mo0.5)[CO3]O7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RB = 0.104
  • Sample Detail(s): sample prepared from V2O5, HgO, CuO, SrO2, Sr2CuO3, Sr2CuO2[CO3], energy-dispersive X-ray analysis; composition confirmed, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr4Cu2Hg0.6V0.4[CO3]O6.6
  • Alphabetic Formula: [CO3]Cu2Hg0.6O6.6Sr4V0.4
  • Published Formula: Hg0.6V0.4Sr4Cu2(CO3)O6+z
  • Refined Formula: CCu2Hg0.57O10.60Sr4V0.43
  • Wyckoff Sequence: 123,lih2g3dba
  • Z Formula Units: 1
  • Density: ρ = 5.41 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_1624980

  • 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)

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