Inorganic Solid Phases

ZnCr1.9Sn0.1Se4; Zn0.93[Cr1.95Sn0.05]Se4.00 (Zn0.7Cr2Sn0.3Se4) Crystal Structure

General Information

  • Phase Label(s): Zn0.7Cr2Sn0.3Se4
  • Structure Class(es): spinel family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF56
  • Space Group: 227
  • Phase Prototype: MgAl2O4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips X'Pert PRO MPD PW3050 (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters)
  • Phase Class(es):
  • Compound Class(es): selenide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, wRP = 0.116; RB = 0.0561
  • Sample Detail(s): sample prepared from ZnSe, SnSe, Cr2Se3, inductive coupled plasma atomic emission spectroscopy; 12.61 wt.% Zn, 1.22 wt.% Sn, 20.95 wt.% Cr, 65.22 wt.% Se, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Zn0.93Cr1.95Sn0.05Se4
  • Alphabetic Formula: Cr1.95Se4Sn0.05Zn0.93
  • Published Formula: ZnCr1.9Sn0.1Se4; Zn0.93[Cr1.95Sn0.05]Se4.00
  • Refined Formula: Cr1.95Se4Sn0.05Zn0.93
  • Wyckoff Sequence: 227,ecb
  • Z Formula Units: 8
  • Density: ρ = 5.54 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1929304

  • 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