Inorganic Solid Phases

Cu0.6Nb6O14.6F1.4 Crystal Structure

General Information

  • Phase Label(s): Cu0.6Nb6O14.6F1.4 orth2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP50
  • Space Group: 51
  • Phase Prototype: Cd0.25Nb6(O0.91F0.09)16
  • Measurement Detail(s): Guinier-Hägg film (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Cu Kα1 (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): fluoride, oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 556 reflections; I > 3σ(I), R = 0.068
  • Sample Detail(s): sample prepared from Cu2O, Nb2O5, NbO2F, amounts of Cu2O, powder (determination of cell parameters), single crystal, 0.060×0.12×0.150 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu0.6Nb6O14.6F1.4
  • Alphabetic Formula: Cu0.6F1.4Nb6O14.6
  • Published Formula: Cu0.6Nb6O14.6F1.4
  • Refined Formula: Cu0.56Nb6O16
  • Wyckoff Sequence: 51,j3i6f2e3da
  • Z Formula Units: 2
  • Density: ρ = 4.87 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_1122546

  • 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