Inorganic Solid Phases

La5B2C6 (La5B2.5C5.5) Crystal Structure

General Information

  • Phase Label(s): La5B2.5C5.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP56
  • Space Group: 130
  • Phase Prototype: La5(B0.7C0.3)3.6C3.8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.07093 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): borocarbide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 1305 reflections; I > 3σ(I), R = 0.079
  • Sample Detail(s): sample prepared from La, B, C, single crystal (determination of cell parameters), single crystal, 0.675 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: La5B2C6
  • Alphabetic Formula: B2C6La5
  • Published Formula: La5B2C6
  • Refined Formula: B2C6La5
  • Wyckoff Sequence: 75,d18b2a2
  • Z Formula Units: 4
  • Density: ρ = 5.77 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
sin2(θ) [10−3]
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_1803154

  • 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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