Inorganic Solid Phases

Cu[B(CN)4]2 (CuB2[CN]8) Crystal Structure

General Information

  • Phase Label(s): CuB2[CN]8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS38
  • Space Group: 12
  • Phase Prototype: CuB2[CN]8
  • Measurement Detail(s): automatic diffractometer; STOE IPDS (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 293(2) K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): cyanide, boride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 53 variables; 734 reflections, R = 0.0226; wR = 0.0614
  • Sample Detail(s): sample prepared from CuO, [H3O](B[CN]4), chemical analysis; 32.70 wt.% C, 37.40 wt.% N, single crystal, 0.14×0.28×0.34 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CuB2[CN]8
  • Alphabetic Formula: B2[CN]8Cu
  • Published Formula: Cu[B(CN)4]2
  • Refined Formula: B2C8CuN8
  • Wyckoff Sequence: 12,j2i5a
  • Z Formula Units: 2
  • Density: ρ = 1.68 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_1711729

  • 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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