Inorganic Solid Phases

(Cu0.6Ti0.3Al0.3Fe3+0.20.6)Cu2(Fe3+2.2Cu1.8)(V5.8As0.1Mo0.1)O24; Cu3+x(Fe3+4−2xCu2x)(VO4)6 (Cu2.3Ti0.15Fe1.1Al0.15[VO4]2.9[MoO4]0.05[AsO4]0.05) Crystal Structure

General Information

  • Phase Label(s): Cu2.3Ti0.15Fe1.1Al0.15[VO4]2.9[MoO4]0.05[AsO4]0.05
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): lyonsite
  • Pearson Symbol: oP76
  • Space Group: 62
  • Phase Prototype: Cu1.5Fe2[VO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, SNBL (determination of structural parameters), X-rays, synchrotron; λ = 0.066221 nm (determination of cell and structural parameters), T = 296 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, molybdate, vanadate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; I > 2σ(I), R = 0.0514
  • Sample Detail(s): lyonsite sample from Russia, Kamchatka Peninsula, Tolbachik volcanic complex, electron microprobe analysis; Cu4.33Fe2.37Ti0.26Al0.26Zn0.07(V5.85As0.07Mo0.07P0.01S0.01)O24, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu2.3Ti0.15Fe1.1Al0.15[VO4]2.9[MoO4]0.05[AsO4]0.05
  • Alphabetic Formula: Al0.15[AsO4]0.05Cu2.3Fe1.1[MoO4]0.05Ti0.15[VO4]2.9
  • Published Formula: (Cu0.6Ti0.3Al0.3Fe3+0.20.6)Cu2(Fe3+2.2Cu1.8)(V5.8As0.1Mo0.1)O24; Cu3+x(Fe3+4−2xCu2x)(VO4)6
  • Refined Formula: Al0.13As0.06Cu2.20Fe1.22Mo0.03O12Ti0.15V2.91
  • Wyckoff Sequence: 62,d7c5
  • Z Formula Units: 4
  • Density: ρ = 3.67 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1940267

  • 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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