Inorganic Solid Phases

Na3Ni2(As0.1P0.9)O4(As1.3P0.7)O7 (Na3Ni2[AsO4]0.1[As2O7]0.65[PO4]0.9[P2O7]0.35) Crystal Structure

General Information

  • Phase Label(s): Na3Ni2[AsO4]0.1[As2O7]0.65[PO4]0.9[P2O7]0.35
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS80
  • Space Group: 12
  • Phase Prototype: Na3Ni2[(As0.1P0.9)O4][(As1.3P0.7)O7]
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 293(2) 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; 108 variables; 894 reflections; I > 2σ(I), R = 0.0221; wR = 0.0528
  • Sample Detail(s): sample prepared from Na2CO3, NH4H2PO4, NH4H2AsO4, Ni[NO3]2[H2O]6, single crystal (determination of cell parameters), single crystal, 0.018×0.072×0.144 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na3Ni2[AsO4]0.1[As2O7]0.65[PO4]0.9[P2O7]0.35
  • Alphabetic Formula: [AsO4]0.1[As2O7]0.65Na3Ni2[PO4]0.9[P2O7]0.35
  • Published Formula: Na3Ni2(As0.1P0.9)O4(As1.3P0.7)O7
  • Refined Formula: As1.41Na3Ni2O11P1.59
  • Wyckoff Sequence: 12,j6i6hg
  • Z Formula Units: 4
  • Density: ρ = 3.86 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]

Powder Pattern

published defraction line
d [Å]
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_1216088

  • 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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