Inorganic Solid Phases

Rb2.7Mo6Br13.3Se0.7 (Rb5.4Mo12Se1.4Br26.6) Crystal Structure

General Information

  • Phase Label(s): Rb5.4Mo12Se1.4Br26.6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP98
  • Space Group: 201
  • Phase Prototype: Rb5.4Mo12Se1.4Br26.6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): bromide, selenide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, least-squares refinement; 42 variables; 792 reflections; I > 2σ(I), R = 0.0295
  • Sample Detail(s): sample prepared from RbBr, MoBr2, Mo, Se, electron microprobe analysis; 13 at.% Rb, 29 at.% Mo, 54 at.% Br, 3 at.% Se, single crystal (determination of cell parameters), single crystal, 0.072×0.074×0.140 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Rb5.4Mo12Se1.4Br26.6
  • Alphabetic Formula: Br26.6Mo12Rb5.4Se1.4
  • Published Formula: Rb2.7Mo6Br13.3Se0.7
  • Refined Formula: Br26.59Mo12Rb5.38Se1.41
  • Wyckoff Sequence: 201,h3e2db
  • Z Formula Units: 2
  • Density: ρ = 4.52 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1210497

  • 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

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