Inorganic Solid Phases

(Cu2+,Zn1.78Mg0.22)(Mg0.54Fe0.46)Te6+O6·6H2O (Mg0.76Cu1.78Fe0.46[TeO6][H2O]6) Crystal Structure

General Information

  • Phase Label(s): Mg0.76Cu1.78Fe0.46[TeO6][H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): leisingite
  • Pearson Symbol: hP16
  • Space Group: 162
  • Phase Prototype: (Mg0.11Cu0.89)2(Mg0.54Fe0.46)[TeO6][H2O]6
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Siemens P3 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hexaoxotellurate(VI), hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 191 reflections; I > 3σ(I), R = 0.042; wR = 0.031
  • Sample Detail(s): leisingite sample from U.S.A. Utah, Juab County, Centennial Eureka mine, electron microprobe analysis; 36.94 wt.% TeO3, 24.71 wt.% CuO, 6.86 wt.% FeO, 0.45 wt.% ZnO, 6.19 wt.% MgO, single crystal (determination of cell parameters), single crystal, 0.01×0.10×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg0.76Cu1.78Fe0.46[TeO6][H2O]6
  • Alphabetic Formula: Cu1.78Fe0.46[H2O]6Mg0.76[TeO6]
  • Published Formula: (Cu2+,Zn1.78Mg0.22)(Mg0.54Fe0.46)Te6+O6·6H2O
  • Refined Formula: Cu1.78Fe0.46H12Mg0.76O12Te
  • Wyckoff Sequence: 162,k2cba
  • Z Formula Units: 1
  • Density: ρ = 3.41 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_1012108

  • 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