Inorganic Solid Phases

(ZnO)5(In0.8Y0.2)2O3 (Zn5Y0.4In1.6O8) Crystal Structure

General Information

  • Phase Label(s): Zn5Y0.4In1.6O8
  • Structure Class(es):
  • Classification by Properties: metal
  • Mineral Name(s):
  • Pearson Symbol: hR45
  • Space Group: 166
  • Phase Prototype: (Zn0.83Fe0.17)6LuO8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1820 (determination of structural parameters), X-rays, Co Kα; λ = 0.178896 nm (determination of cell and structural parameters), T = 296 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement; 24 variables; 234 reflections, RP = 0.0713; wRP = 0.0905; RB = 0.0694
  • Sample Detail(s): sample prepared from ZnO, In2O3, Y2O3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Zn5Y0.4In1.6O8
  • Alphabetic Formula: In1.6O8Y0.4Zn5
  • Published Formula: (ZnO)5(In0.8Y0.2)2O3
  • Refined Formula: In1.60O8Y0.42Zn4.98
  • Wyckoff Sequence: 166,c7a
  • Z Formula Units: 3
  • Density: ρ = 5.97 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]

Powder Pattern

published defraction line
2θ [°]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1120156

  • 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