Inorganic Solid Phases

Sr2MnO2Cu1.5(S1−xSex)2, x= 0.75 (Sr2Cu1.5MnSeSO2) Crystal Structure

General Information

  • Phase Label(s): Sr2Cu1.5MnSeSO2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI18
  • Space Group: 139
  • Phase Prototype: Sr2Cu2MnS2O2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility, POLARIS (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide, sulfide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, multiphase, wRP = 0.0171
  • Sample Detail(s): sample prepared from SrS, SrO, MnO2, CuO, Mn, Cu, Se, amounts of MnO and Sr(S,Se) (0.5 and 0.5 wt.%) and trace amounts of Cu, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr2Cu1.5MnSe1.50S0.50O2
  • Alphabetic Formula: Cu1.5MnO2S0.50Se1.50Sr2
  • Published Formula: Sr2MnO2Cu1.5(S1−xSex)2, x= 0.75
  • Refined Formula: Cu1.50MnO2S0.50Se1.50Sr2
  • Wyckoff Sequence: 139,e2dca
  • Z Formula Units: 2
  • Density: ρ = 5.61 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1604988

  • 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