Inorganic Solid Phases

Na4Ni5[(As1−xPx)O4]2[(As2yP2−2y)O7]2, x= 0.27, y= 0.295 (Na4Ni5[AsO4]1.46[As2O7]0.59[PO4]0.54[P2O7]1.41) Crystal Structure

General Information

  • Phase Label(s): Na4Ni5[AsO4]1.46[As2O7]0.59[PO4]0.54[P2O7]1.41
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP78
  • Space Group: 14
  • Phase Prototype: Na4Ni5[(As0.73P0.27)O4]2[(As0.29P0.71)O7]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, diarsenate, orthophosphate, diphosphate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 187 variables; 1942 reflections; I > 2σ(I), R = 0.024; wR = 0.065
  • Sample Detail(s): single crystal (determination of cell parameters), single crystal, 0.02×0.08×0.20 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na4Ni5[AsO4]1.46[As2O7]0.59[PO4]0.54[P2O7]1.41
  • Alphabetic Formula: [AsO4]1.46[As2O7]0.59Na4Ni5[PO4]0.54[P2O7]1.41
  • Published Formula: Na4Ni5[(As1−xPx)O4]2[(As2yP2−2y)O7]2, x= 0.27, y= 0.295
  • Refined Formula: As2.64Na4Ni5O22P3.36
  • Wyckoff Sequence: 14,e19a
  • Z Formula Units: 2
  • Density: ρ = 3.87 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]

Anisotropic

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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1813700

  • 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

    Citation copied