Inorganic Solid Phases

La2.3Ba0.7Sb0.85Ga5.15O14 (Ba0.7La2.3Ga5.15Sb0.85O14) Crystal Structure

General Information

  • Phase Label(s): Ba0.7La2.3Ga5.15Sb0.85O14
  • Structure Class(es): langasite family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP23
  • Space Group: 150
  • Phase Prototype: La3(Nb0.5Ga0.5)Ga5O14
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P-1 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 37 variables; F > 4σ(F), R = 0.0354; wR = 0.0353
  • Sample Detail(s): sample prepared from BaCO3, Sb2O5, Ga2O3, La2O3, electron microprobe analysis; composition confirmed, single crystal (determination of cell parameters), single crystal, 0.10×0.15×0.20 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba0.7La2.3Ga5.15Sb0.85O14
  • Alphabetic Formula: Ba0.7Ga5.15La2.3O14Sb0.85
  • Published Formula: La2.3Ba0.7Sb0.85Ga5.15O14
  • Refined Formula: Ba0.69Ga5.15La2.31O14Sb0.85
  • Wyckoff Sequence: 150,g2fed2a
  • Z Formula Units: 1
  • Density: ρ = 5.85 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1030099

  • 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

    Citation copied