Inorganic Solid Phases

K5.3Mo9.2Nb0.8O30 (K2.65Nb0.4Mo4.6O15) Crystal Structure

General Information

  • Phase Label(s): K2.65Nb0.4Mo4.6O15
  • Structure Class(es): tetragonal bronze
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP50
  • Space Group: 127
  • Phase Prototype: K3Ta5.4O15
  • 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)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 51 variables; 321 reflections; I > 3σ(I), R = 0.021; wR = 0.032
  • Sample Detail(s): sample prepared from K5Nb8O8, K2O[B2O3], electron microprobe analysis; other phases: KNbO3, NbO2, Nb and K2O[B2O3], single crystal (determination of cell parameters), single crystal, 0.15×0.15×0.33 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K2.65Nb0.4Mo4.6O15
  • Alphabetic Formula: K2.65Mo4.6Nb0.4O15
  • Published Formula: K5.3Mo9.2Nb0.8O30
  • Refined Formula: K2.67Mo4.61Nb0.38O15
  • Wyckoff Sequence: 127,j3ihg2dca
  • Z Formula Units: 2
  • Density: ρ = 4.35 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1408558

  • 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