Inorganic Solid Phases

Cr1.234(Te0.875Se0.125)2 (Cr0.65Te0.875Se0.125) Crystal Structure

General Information

  • Phase Label(s): Cr0.65Te0.875Se0.125
  • Structure Class(es):
  • Classification by Properties: ferromagnet FM, metal, spin glass
  • Mineral Name(s):
  • Pearson Symbol: hP4
  • Space Group: 164
  • Phase Prototype: Cr0.88S
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE STADI P (determination of structural parameters), X-rays, Cu Kα; λ = 0.154056 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): selenide, telluride
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement; 13 variables, wRP = 0.0535; RB = 0.0448
  • Sample Detail(s): sample prepared from Cr, Te, Se, inductive coupled plasma method; nominal composition Cr1.228(6)Te1.767(11)Se0.233(2), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cr0.617Te0.875Se0.125
  • Alphabetic Formula: Cr0.617Se0.125Te0.875
  • Published Formula: Cr1.234(Te0.875Se0.125)2
  • Refined Formula: Cr0.62Se0.13Te0.88
  • Wyckoff Sequence: 164,dba
  • Z Formula Units: 2
  • Density: ρ = 6.58 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_1120478

  • 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