Inorganic Solid Phases

Zr3.88As2.79Te5.1 (ZrAs0.75Te1.25) Crystal Structure

General Information

  • Phase Label(s): ZrAs0.75Te1.25
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oI12
  • Space Group: 71
  • Phase Prototype: NbPS
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenide, telluride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 270 reflections, R = 0.07
  • Sample Detail(s): sample prepared from Zr, Te, As, atomic absorption spectroscopy; As/Zr/Te ratio 0.72/1/1.31, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Zr0.97As0.70Te1.28
  • Alphabetic Formula: As0.70Te1.28Zr0.97
  • Published Formula: Zr3.88As2.79Te5.1
  • Refined Formula: As0.70Te1.28Zr0.97
  • Wyckoff Sequence: 71,jig
  • Z Formula Units: 4
  • Density: ρ = 7.09 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

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_1814324

  • 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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