Inorganic Solid Phases

ScB17C0.25 (Sc3B51C0.75) Crystal Structure

General Information

  • Phase Label(s): Sc3B51C0.75
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP212
  • Space Group: 191
  • Phase Prototype: Sc3B51C0.75
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku AFC7R (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): borocarbide
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F2; 64 variables; 661 reflections; F > 4σ(F), R = 0.055; wR = 0.165
  • Sample Detail(s): sample prepared from ScB17, electron microprobe analysis; ScB16−17.4C0.69−0.6; no Sn detected, single crystal (determination of cell parameters), single crystal, 0.075×0.075×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Sc3B51C0.75
  • Alphabetic Formula: B51C0.75Sc3
  • Published Formula: ScB17C0.25
  • Refined Formula: B48.10C0.71Sc3
  • Wyckoff Sequence: 191,r2q2p2o4n3m2l2h2
  • Z Formula Units: 4
  • Density: ρ = 2.81 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_1001288

  • 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