Inorganic Solid Phases

NH4[NiGa2P3O12(H2O)2] ([NH4]NiGa2[PO4]3[H2O]2) Crystal Structure

General Information

  • Phase Label(s): [NH4]NiGa2[PO4]3[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS84
  • Space Group: 15
  • Phase Prototype: [NH4]CoGa2[PO4]3[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 113 variables; 2201 reflections; F > 4σ(F), R = 0.0184; wR = 0.0518
  • Sample Detail(s): sample prepared from NiCl2[H2O]6, Ga2O3, H3PO4, C3H4N2, C2H6O2 (ethylene glycol), electron microprobe analysis, single crystal (determination of cell parameters), single crystal, 0.05×0.09×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [NH4]NiGa2[PO4]3[H2O]2
  • Alphabetic Formula: Ga2[H2O]2[NH4]Ni[PO4]3
  • Published Formula: NH4[NiGa2P3O12(H2O)2]
  • Refined Formula: Ga2H8NNiO14P3
  • Wyckoff Sequence: 15,f9e3
  • Z Formula Units: 4
  • Density: ρ = 3.13 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_1926479

  • 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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