Inorganic Solid Phases

Na2−xGa2−xSn1+xSe24 (Na1.8Ga1.8Sn1.2Se6) Crystal Structure

General Information

  • Phase Label(s): Na1.8Ga1.8Sn1.2Se6
  • Structure Class(es):
  • Classification by Properties: semiconductor
  • Mineral Name(s):
  • Pearson Symbol: mS44
  • Space Group: 5
  • Phase Prototype: Na1.8(Ga0.6Sn0.4)3Se6
  • 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 parameters), X-rays, Mo Kα (determination of 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, R = 0.0417; wR = 0.1088
  • Sample Detail(s): sample prepared from Ga, Sn, Se, Na2Se, two-phase sample, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na1.8Ga1.8Sn1.2Se6
  • Alphabetic Formula: Ga1.8Na1.8Se6Sn1.2
  • Published Formula: Na2−xGa2−xSn1+xSe24
  • Refined Formula: Ga1.81Na1.84Se6Sn1.19
  • Wyckoff Sequence: 5,c10ba
  • Z Formula Units: 4
  • Density: ρ = 4.24 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_1120506

  • 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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