Inorganic Solid Phases

Ti0.3Mo5RuSe8 (Ti0.15Mo2.5Ru0.5Se4) Crystal Structure

General Information

  • Phase Label(s): Ti0.15Mo2.5Ru0.5Se4
  • Structure Class(es):
  • Classification by Properties: semiconductor
  • Mineral Name(s):
  • Pearson Symbol: hR*
  • Space Group: 148
  • Phase Prototype: *
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Scintag XDS-2000 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): selenide
  • Interpretation Detail(s): part of atom coordinates determined, Rietveld refinement, RP = 0.104; wRP = 0.142; RB = 0.0611
  • Sample Detail(s): sample prepared from Mo5RuSe8, Ti, electron microprobe analysis; Ti0.28(2)Mo5.08(2)Ru0.92(2)Se7.81(19); amounts of MoSe2, TiSe2 and TIOx, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ti0.15Mo2.5Ru0.5Se4
  • Alphabetic Formula: Mo2.5Ru0.5Se4Ti0.15
  • Published Formula: Ti0.3Mo5RuSe8
  • Refined Formula:
  • Wyckoff Sequence: 148,f2c
  • Z Formula Units: 6
  • Density: ρ = 6.87 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_1420816

  • 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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