Inorganic Solid Phases

MgC0.96Ni3 (MgNi3C, T = 2 K) Crystal Structure

General Information

  • Phase Label(s): MgNi3C
  • Structure Class(es): perovskite
  • Classification by Properties: diamagnetic, ferromagnet FM, intercalation compound, metal, superconductor
  • Mineral Name(s):
  • Pearson Symbol: cP5
  • Space Group: 221
  • Phase Prototype: CaTiO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Maryland, Gaithersburg, NIST Center for Neutron Research, NBSR, BT-1 (determination of structural parameters), neutrons; λ = 0.15401 nm (determination of cell and structural parameters), T = 2 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, multiphase
  • Sample Detail(s): amounts of C graphite (2 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: MgNi3C0.96
  • Alphabetic Formula: C0.96MgNi3
  • Published Formula: MgC0.96Ni3
  • Refined Formula: C0.96MgNi3
  • Wyckoff Sequence: 221,dba
  • Z Formula Units: 1
  • Density: ρ = 6.38 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]

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_1638059

  • 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