Inorganic Solid Phases

Cd0.964Zn0.036GeAs2:Mn (Zn0.036Cd0.964GeAs2) Crystal Structure

General Information

  • Phase Label(s): Zn0.036Cd0.964GeAs2
  • Structure Class(es): normal adamantane structure
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI16
  • Space Group: 122
  • Phase Prototype: CuFeS2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 219 reflections; I > 2σ(I), R = 0.0546; wR = 0.1114
  • Sample Detail(s): sample prepared from Cd0.97Zn0.03As, Ge, Mn, atomic absorption spectroscopy, energy-dispersive X-ray analysis; 1.5 wt.% Mn, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Zn0.036Cd0.964GeAs2
  • Alphabetic Formula: As2Cd0.964GeZn0.036
  • Published Formula: Cd0.964Zn0.036GeAs2:Mn
  • Refined Formula: As2Cd0.96GeZn0.04
  • Wyckoff Sequence: 122,dba
  • Z Formula Units: 4
  • Density: ρ = 5.64 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1922903

  • 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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