Inorganic Solid Phases

(Na0.56K0.15)V4+0.71V5+5.29O15 (K0.15Na0.56V6O15) Crystal Structure

General Information

  • Phase Label(s): K0.15Na0.56V6O15
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): bannermanite
  • Pearson Symbol: mS46
  • Space Group: 12
  • Phase Prototype: NaV6O15
  • Measurement Detail(s): automatic diffractometer; 9 (determination of cell parameters), automatic diffractometer; Picker (determination of structural parameters), X-rays, Mo Kα1; λ = 0.070930 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; 679 reflections; I > 2σ(I), R = 0.094; wR = 0.074
  • Sample Detail(s): bannermanite sample from El Salvador, Izalco volcano, electron microprobe analysis; 3.03 wt.% Na2O, 1.26 wt.% K2O, 10.36 wt.% V2O4, 84.62 wt.% V2O5, single crystal (determination of cell parameters), single crystal, 0.011×0.046×0.101 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.15Na0.56V6O15
  • Alphabetic Formula: K0.15Na0.56O15V6
  • Published Formula: (Na0.56K0.15)V4+0.71V5+5.29O15
  • Refined Formula: K0.15Na0.55O15V6
  • Wyckoff Sequence: 12,i11a
  • Z Formula Units: 2
  • Density: ρ = 3.54 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1616014

  • 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