Inorganic Solid Phases

CuB28 (Cu3.7B103.9 rhom1) Crystal Structure

General Information

  • Phase Label(s): Cu3.7B103.9 rhom1
  • Structure Class(es): β-boron family
  • Classification by Properties: Pauli paramagnet, metal, nonmetal
  • Mineral Name(s):
  • Pearson Symbol: hR423
  • Space Group: 166
  • Phase Prototype: B
  • Measurement Detail(s): diffractometer; 13 (determination of cell parameters), automatic diffractometer; STOE-Philips 4-circle (determination of structural parameters), X-rays, Cu Kα; λ = 0.154242 nm (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): boride
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F; 76 variables; 701 reflections; F2 > 2σ(F2), R = 0.048
  • Sample Detail(s): sample prepared from B, other phases: Cu, single crystal (determination of cell parameters), single crystal, 0.13 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu3.7B103.9
  • Alphabetic Formula: B103.9Cu3.7
  • Published Formula: CuB28
  • Refined Formula: B34.64Cu1.24
  • Wyckoff Sequence: 166,i5h11c3a
  • Z Formula Units: 3
  • Density: ρ = 2.72 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
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1300255

  • 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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