Inorganic Solid Phases

ZrS2 Crystal Structure

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General Information

  • Phase Label(s): ZrS2
  • Structure Class(es): CdI2-PbI2 polytype
  • Classification by Properties: nonmetal
  • Mineral Name(s): –
  • Pearson Symbol: hP3
  • Space Group: 164
  • Phase Prototype: CdI2
  • Measurement Detail(s): Debye-Scherrer film (determination of cell and structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, trial-and-error
  • Sample Detail(s): powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: ZrS2
  • Alphabetic Formula: S2Zr
  • Published Formula: ZrS2
  • Refined Formula: S2Zr
  • Wyckoff Sequence: 164,da
  • Z Formula Units: 1
  • Density: ρ = 3.76 Mg·m−3
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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

Powder Pattern

published defraction line
sin2(θ) [10−3]
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_1715369

  • 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)

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