Inorganic Solid Phases

K4(HSO4)3(H2PO4) (H2.5K2[PO4]0.5[SO4]1.5) Crystal Structure

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General Information

  • Phase Label(s): H2.5K2[PO4]0.5[SO4]1.5
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: aP24
  • Space Group: 2
  • Phase Prototype: H2.5K2[(P0.5Se0.5)O4][SeO4]
  • Measurement Detail(s): automatic diffractometer; 24 (determination of cell parameters), automatic diffractometer; STOE STADI 4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthophosphate, sulfate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 115 variables; 1923 reflections; I > 2σ(I), R = 0.031; wR = 0.077
  • Sample Detail(s): sample prepared from KHSO4, KH2PO4, single crystal (determination of cell parameters), single crystal, 0.2×0.4×0.5 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H2.5K2[PO4]0.5[SO4]1.5
  • Alphabetic Formula: H2.5K2[PO4]0.5[SO4]1.5
  • Published Formula: K4(HSO4)3(H2PO4)
  • Refined Formula: H2.50K2O8P0.50S1.50
  • Wyckoff Sequence: 2,i12
  • Z Formula Units: 2
  • Density: ρ = 2.32 Mg·m−3
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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_1703804

  • 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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