Inorganic Solid Phases

Pb2P4O12·3H2O (Pb2P4O12[H2O]3) Crystal Structure

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General Information

  • Phase Label(s): Pb2P4O12[H2O]3
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: aP42
  • Space Group: 2
  • Phase Prototype: Pb2P4O12[H2O]3
  • Measurement Detail(s): Guinier film; 20 (determination of cell parameters), automatic diffractometer; Siemens-STOE AED2 (determination of structural parameters), X-rays (determination of cell parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of structural parameters), T = 298 K (determination of cell parameters)
  • Phase Class(es): –
  • Compound Class(es): phosphate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 190 variables; 4160 reflections; F > 3σ(F), R = 0.05
  • Sample Detail(s): sample prepared from Pb[NO3]2, Na4P4O12[H2O]4, powder (determination of cell parameters), single crystal, 0.1×0.13×0.14 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Pb2P4O12[H2O]3
  • Alphabetic Formula: [H2O]3O12P4Pb2
  • Published Formula: Pb2P4O12·3H2O
  • Refined Formula: H6O15P4Pb2
  • Wyckoff Sequence: 2,i21
  • Z Formula Units: 2
  • Density: ρ = 4.09 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

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Powder Pattern

published defraction line
d [pm]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1706629

  • 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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