Inorganic Solid Phases

Cu2O(SeO3) (Cu2[SeO3]O rt) Crystal Structure

General Information

  • Phase Label(s): Cu2[SeO3]O rt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP56
  • Space Group: 198
  • Phase Prototype: Cu2[SeO3]O
  • Measurement Detail(s): automatic diffractometer; Philips X'Pert MPD (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of structural parameters), T = 273 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): trioxoselenate(IV), oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 34 variables, RP = 0.0312; wRP = 0.0400; RB = 0.0388
  • Sample Detail(s): sample prepared from Cu[SeO3][H2O]2, inductive coupled plasma method; 22.2 wt.% Cu, 28.9 wt.% Se, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu2[SeO3]O
  • Alphabetic Formula: Cu2O[SeO3]
  • Published Formula: Cu2O(SeO3)
  • Refined Formula: Cu2O4Se
  • Wyckoff Sequence: 198,b3a5
  • Z Formula Units: 8
  • Density: ρ = 5.04 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1716458

  • 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