Inorganic Solid Phases

K3H(SeO4)2 (HK3[SeO4]2 rt, T = 385 K) Crystal Structure

General Information

  • Phase Label(s): HK3[SeO4]2 rt
  • Structure Class(es):
  • Classification by Properties: ferroelastic FEL, nonmetal
  • Mineral Name(s):
  • Pearson Symbol: mS52
  • Space Group: 15
  • Phase Prototype: H[NH4]3[SO4]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Tsukuba, High Energy Accelerator Research Organization (KEK), KENS, VEGA (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 385 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): tetraoxoselenate(VI)
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, wRP = 0.0150; RB = 0.0087
  • Sample Detail(s): powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: HK3[SeO4]2
  • Alphabetic Formula: HK3[SeO4]2
  • Published Formula: K3H(SeO4)2
  • Refined Formula: HK3O8Se2
  • Wyckoff Sequence: 15,f6e
  • Z Formula Units: 4
  • Density: ρ = 3.05 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1223466

  • 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