Inorganic Solid Phases

Sc2B1.1C3.2 (Sc98B54C157) Crystal Structure

General Information

  • Phase Label(s): Sc98B54C157
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP309
  • Space Group: 164
  • Phase Prototype: Sc98(B0.33C0.67)162C49
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): borocarbide
  • Interpretation Detail(s): commensurate approximant determined; refinement in superspace, full-matrix least-squares refinement on F; 168 variables; 1292 reflections; F > 4σ(F), R = 0.0461; wR = 0.1031
  • Sample Detail(s): single crystal (determination of cell parameters), single crystal, 0.06×0.1×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Sc98B54C157
  • Alphabetic Formula: B54C157Sc98
  • Published Formula: Sc2B1.1C3.2
  • Refined Formula: B53.95C157.05Sc98
  • Wyckoff Sequence: 156,e34d33c2b2a2
  • Z Formula Units: 1
  • Density: ρ = 3.50 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1412890

  • 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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