Inorganic Solid Phases

K4[V(CN)6], MDO2 (K4V[CN]6 mon) Crystal Structure

General Information

  • Phase Label(s): K4V[CN]6 mon
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP68
  • Space Group: 14
  • Phase Prototype: K4V[CN]6
  • Measurement Detail(s): Guinier film; 31 (determination of cell parameters), Philips (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): cyanide
  • Interpretation Detail(s): complete structure determined; order - disorder studied, full-matrix least-squares refinement; 89 variables; F > 3σ(F), R = 0.053; wR = 0.055
  • Sample Detail(s): sample prepared from VCl3, KCN, atomic absorption spectroscopy; 43.8 wt.% K, 43.1 wt.% CN, 13.9 wt.% V, powder (determination of cell parameters), single crystal, 0.005×0.015×0.055 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K4V[CN]6
  • Alphabetic Formula: [CN]6K4V
  • Published Formula: K4[V(CN)6], MDO2
  • Refined Formula: C6K4N6V
  • Wyckoff Sequence: 14,e17
  • Z Formula Units: 4
  • Density: ρ = 1.81 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
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_1122352

  • 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

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