Inorganic Solid Phases

H3[PO4][CON2H4] (T = 300 K) Crystal Structure

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General Information

  • Phase Label(s): H3[PO4][CON2H4]
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oP72
  • Space Group: 61
  • Phase Prototype: H3[PO4][CON2H4]
  • Measurement Detail(s): automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility, SXD (determination of structural parameters), neutrons, time-of-flight (determination of structural parameters), T = 300 K (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, full-matrix least-squares refinement; 181 variables; I > 2σ(I), R = 0.075; wR = 0.161
  • Sample Detail(s): single crystal, 2×3×3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H3[PO4][CON2H4]
  • Alphabetic Formula: [CON2H4]H3[PO4]
  • Published Formula: H3[PO4][CON2H4]
  • Refined Formula: CH7N2O5P
  • Wyckoff Sequence: 61,c9
  • Z Formula Units: 8
  • Density: ρ = 1.77 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_1904784

  • 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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