Inorganic Solid Phases

Na4{Ni[(PO2NH)3]2}·12H2O, ht (H6Na4NiP6N6O12[H2O]12 rt) Crystal Structure

General Information

  • Phase Label(s): H6Na4NiP6N6O12[H2O]12 rt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS168
  • Space Group: 15
  • Phase Prototype: Na4NiP6[NH]6O12[H2O]12
  • Measurement Detail(s): automatic diffractometer; Bruker AXS P4 SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 293(2) K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): phosphate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 194 variables; 3802 reflections; F2 > 2σ(F2), R = 0.0322; wR = 0.0888
  • Sample Detail(s): sample prepared from Na3[PO2NH]3[H2O]4, Ni[NO3]2[H2O]6, single crystal, 0.34×0.40×0.44 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na4NiP6[NH]6O12[H2O]12
  • Alphabetic Formula: [H2O]12[NH]6Na4NiO12P6
  • Published Formula: Na4{Ni[(PO2NH)3]2}·12H2O, ht
  • Refined Formula: H30N6Na4NiO24P6
  • Wyckoff Sequence: 15,f19e3a
  • Z Formula Units: 4
  • Density: ρ = 1.96 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_1906669

  • 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

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