Inorganic Solid Phases

La1.1Ba1.9Cu2.1Nb0.9O8 (Ba2Cu2LaNbO8 tet1) Crystal Structure

General Information

  • Phase Label(s): Ba2Cu2LaNbO8 tet1
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP14
  • Space Group: 123
  • Phase Prototype: Ba2Cu2LaTaO8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0277; wRP = 0.0301; RB = 0.0350
  • Sample Detail(s): sample prepared from La2O3, BaCO3, CuO, Nb2O3, thermogravimetry; oxygen coefficient 7.94(5), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba1.9Cu2.1La1.1Nb0.9O8
  • Alphabetic Formula: Ba1.9Cu2.1La1.1Nb0.9O8
  • Published Formula: La1.1Ba1.9Cu2.1Nb0.9O8
  • Refined Formula: Ba1.90Cu2.10La1.10Nb0.90O8.02
  • Wyckoff Sequence: 123,nihg2da
  • Z Formula Units: 1
  • Density: ρ = 6.67 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1600485

  • 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