Inorganic Solid Phases

[NbOCl3·POCl3]4 (NbPCl6O2) Crystal Structure

General Information

  • Phase Label(s): NbPCl6O2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP160
  • Space Group: 14
  • Phase Prototype: NbCl3O[POCl3]
  • Measurement Detail(s): automatic diffractometer; 14 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): phosphate, chloride
  • Interpretation Detail(s): complete structure determined, block-diagonal least-squares refinement; 2386 reflections, R = 0.059
  • Sample Detail(s): sample prepared from NbCl5, Cl2O/N2, chemical analysis; Cl61.56Nb10.06O15.11P13.27; Cl, Nb and P content analyzed, single crystal (determination of cell parameters), twinned crystal, 0.25×0.33×0.38 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: NbCl3O[POCl3]
  • Alphabetic Formula: Cl3NbO[POCl3]
  • Published Formula: [NbOCl3·POCl3]4
  • Refined Formula: Cl6NbO2P
  • Wyckoff Sequence: 14,e40
  • Z Formula Units: 16
  • Density: ρ = 2.33 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

Anisotropic

Site
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1707139

  • 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