Inorganic Solid Phases

K2.9(4)Ba13.1(2)Ga23.2(3)Sn112.7(5) (K0.5Ba1.5Ga3.375Sn13.625) Crystal Structure

General Information

  • Phase Label(s): K0.5Ba1.5Ga3.375Sn13.625
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF152
  • Space Group: 227
  • Phase Prototype: Ba2Ga4Sn13
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 ADVANCE (determination of structural parameters), X-rays, Cu Kα; λ = 0.15405 nm (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): intermetallic
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0992; wRP = 0.1261
  • Sample Detail(s): sample prepared from K, Ba, Ga, Sn, energy-dispersive X-ray analysis; K3Ba13Ga23Sn113; amounts of clathrate-I (K,Ba)8(Ga,Sn)46, BaSn3, Ba5Sn3, Ba2Sn, Sn and Ga, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.36Ba1.64Ga2.90Sn14.10
  • Alphabetic Formula: Ba1.64Ga2.90K0.36Sn14.10
  • Published Formula: K2.9(4)Ba13.1(2)Ga23.2(3)Sn112.7(5)
  • Refined Formula: Ba1.64Ga2.86K0.36Sn14.14
  • Wyckoff Sequence: 227,geca
  • Z Formula Units: 8
  • Density: ρ = 5.70 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_1041965

  • 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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