Inorganic Solid Phases

K2xRb2−2x[Cu(H2O)6](SeO4)2, x= 0.498 (RbKCu[SeO4]2[H2O]6 lt, T = 130 K) Crystal Structure

General Information

  • Phase Label(s): RbKCu[SeO4]2[H2O]6 lt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP38
  • Space Group: 14
  • Phase Prototype: [NH4]2Mg[SO4]2[H2O]6-b
  • Measurement Detail(s): automatic diffractometer; 8138 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4F (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 130 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): tetraoxoselenate(VI), hydrate
  • Interpretation Detail(s): complete structure determined; composition dependence studied; temperature dependence studied, full-matrix least-squares refinement; 123 variables; 2579 reflections; I > 5σ(I), R = 0.0190; wR = 0.0200
  • Sample Detail(s): sample prepared from Rb2(Cu[H2O]6)[SeO4]2, K2(Cu[H2O]6)[SeO4]2, single crystal (determination of cell parameters), single crystal, 0.30 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Rb1.004K0.996Cu[SeO4]2[H2O]6
  • Alphabetic Formula: Cu[H2O]6K0.996Rb1.004[SeO4]2
  • Published Formula: K2xRb2−2x[Cu(H2O)6](SeO4)2, x= 0.498
  • Refined Formula: CuH12K1.01O14Rb0.99Se2
  • Wyckoff Sequence: 14,e10a
  • Z Formula Units: 2
  • Density: ρ = 2.75 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_1023432

  • 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