Inorganic Solid Phases

{VO(O2)2(NH3)}2{μ-Cu(NH3)4} (CuV2O2[O2]4[NH3]6 rt, T = 110 K) Crystal Structure

General Information

  • Phase Label(s): CuV2O2[O2]4[NH3]6 rt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP19
  • Space Group: 2
  • Phase Prototype: CuV2O2[O2]4[NH3]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Kuma Diffraction KM-4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 110 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): peroxide, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 92 variables; 1151 reflections, R = 0.0299; wR = 0.0802
  • Sample Detail(s): sample prepared from CuSO4, NH3, H2O2, NH4VO3, chemical analysis; 18.8 wt.% N, 28.2 wt.% O22−, 23.4 wt.% V, single crystal (determination of cell parameters), single crystal, 0.30×0.35×0.40 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CuV2O2[O2]4[NH3]6
  • Alphabetic Formula: Cu[NH3]6O2[O2]4V2
  • Published Formula: {VO(O2)2(NH3)}2{μ-Cu(NH3)4}
  • Refined Formula: CuH18N6O10V2
  • Wyckoff Sequence: 2,i9a
  • Z Formula Units: 1
  • Density: ρ = 2.14 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_1222481

  • 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