Inorganic Solid Phases

NbPS Crystal Structure

General Information

  • Phase Label(s): NbPS
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oI12
  • Space Group: 71
  • Phase Prototype: NbPS
  • Measurement Detail(s): Debye-Scherrer film (determination of cell parameters), automatic diffractometer; Norelco (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell parameters), X-rays, Cu Kα (determination of structural parameters), T = 298 K (determination of cell and structural parameters), p = 0.0001 GPa (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 7 variables; 31 reflections, R = 0.093
  • Sample Detail(s): sample prepared from Nb, P red, S, chemical analysis; 63.1, 53.5 wt.% Nb, 25.4, 22.2 wt.% S, 20.39, 19.73 wt.% P, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: NbPS
  • Alphabetic Formula: NbPS
  • Published Formula: NbPS
  • Refined Formula: NbPS
  • Wyckoff Sequence: 71,jig
  • Z Formula Units: 4
  • Density: ρ = 5.37 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
B [nm2]
Type
Computed
Beq [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_1000808

  • 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