Inorganic Solid Phases

K0.54Sn3.54Bi11.46Se21 Crystal Structure

General Information

  • Phase Label(s): K0.54Sn3.54Bi11.46Se21
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS76
  • Space Group: 12
  • Phase Prototype: K0.54(Sn0.35Bi0.65)10Bi5Se21
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): selenide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 128 variables; 1607 reflections; I > 2σ(I), R = 0.0537; wR = 0.0898
  • Sample Detail(s): sample prepared from K2Se, Sn, Se, Bi2Se3, electron microprobe analysis; average composition K0.5Sn2.5Bi11.8Se21, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.54Sn3.54Bi11.46Se21
  • Alphabetic Formula: Bi11.46K0.54Se21Sn3.54
  • Published Formula: K0.54Sn3.54Bi11.46Se21
  • Refined Formula: Bi11.48K0.54Se21Sn3.52
  • Wyckoff Sequence: 12,i18cb
  • Z Formula Units: 2
  • Density: ρ = 7.03 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_1200079

  • 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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