Inorganic Solid Phases

Me+Cu2(OH)(zO4)2·H2O, Me+= Rb, z= Se (RbCu2[SeO4]2[OH][H2O]) Crystal Structure

General Information

  • Phase Label(s): RbCu2[SeO4]2[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 (determination of cell parameters), automatic diffractometer; STOE AED2 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, tetraoxoselenate(VI), hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; F > 3σ(F), R = 0.041; wR = 0.036
  • Sample Detail(s): sample prepared from CuO, Rb2SeO4, H2O, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: RbCu2[SeO4]2[OH][H2O]
  • Alphabetic Formula: Cu2[H2O][OH]Rb[SeO4]2
  • Published Formula: Me+Cu2(OH)(zO4)2·H2O, Me+= Rb, z= Se
  • Refined Formula: Cu2H3O10RbSe2
  • Wyckoff Sequence: 12,ji4fa
  • Z Formula Units: 2
  • Density: ρ = 4.15 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

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_1625445

  • 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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