Inorganic Solid Phases

Nb(Cr1−xCox)2, x= 0.80 (NbCrCo) Crystal Structure

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General Information

  • Phase Label(s): NbCrCo
  • Structure Class(es): Frank-Kasper phase, Friauf-Laves phase
  • Classification by Properties: metal
  • Mineral Name(s): –
  • Pearson Symbol: hP12
  • Space Group: 194
  • Phase Prototype: MgZn2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS SPIDER (determination of structural parameters), X-rays, Co Kα1; λ = 0.178897 nm (determination of cell parameters), X-rays, Ag Kα; λ = 0.056088 nm (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): intermetallic
  • Interpretation Detail(s): complete structure determined; composition dependence studied, full-matrix least-squares refinement on F2; 13 variables; 725 reflections; I > 2σ(I), R = 0.035; wR = 0.055
  • Sample Detail(s): sample prepared from Nb, Cr, Co, considering weight loss during preparation, inductive coupled plasma method; Co53.7(2)Cr13.3(1)Nb33.0(1); weight loss during preparation < 0.5 wt.%, powder (determination of cell parameters), single crystal, 0.020×0.035×0.050 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: NbCr0.4Co1.6
  • Alphabetic Formula: Co1.6Cr0.4Nb
  • Published Formula: Nb(Cr1−xCox)2, x= 0.80
  • Refined Formula: Co1.56Cr0.45Nb
  • Wyckoff Sequence: 194,hfa
  • Z Formula Units: 4
  • Density: ρ = 8.71 Mg·m−3
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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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1822878

  • 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)

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