Inorganic Solid Phases

α-(NH4)2SeO4(H3PO4) (H3[NH4]2[PO4][SeO4] rt, T = 130 K) Crystal Structure

General Information

  • Phase Label(s): H3[NH4]2[PO4][SeO4] rt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP48
  • Space Group: 14
  • Phase Prototype: H3[NH4]2[PO4][SeO4]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Berlin, Hahn-Meitner Institute, Berlin Neutron Scattering Center, BER II reactor, E5 (determination of structural parameters), neutrons; λ = 0.0912 nm (determination of cell and structural parameters), T = 130 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, tetraoxoselenate(VI)
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 154 variables; 1361 reflections; I > 2σ(I), R = 0.0938; wR = 0.1925
  • Sample Detail(s): sample prepared from [NH4]2SeO4, H3PO4, single crystal (determination of cell parameters), single crystal, 3.0×4.0×4.0 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H3[NH4]2[PO4][SeO4]
  • Alphabetic Formula: H3[NH4]2[PO4][SeO4]
  • Published Formula: α-(NH4)2SeO4(H3PO4)
  • Refined Formula: H11N2O8PSe
  • Wyckoff Sequence: 14,e12
  • Z Formula Units: 4
  • Density: ρ = 2.15 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

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_1030133

  • 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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