Inorganic Solid Phases

Mg1−xTa2+xN3, x= 0.06(1) (Mg1.88Ta4.12N6) Crystal Structure

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General Information

  • Phase Label(s): Mg1.88Ta4.12N6
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hP24
  • Space Group: 193
  • Phase Prototype: Nb3(Nb0.5Mn0.5)2Mn(N0.9O0.1)6
  • Measurement Detail(s): automatic diffractometer; Philips PW1050 (determination of structural parameters), X-rays, Cu Kα1; λ = 0.15405 nm (determination of structural parameters), T = 293 K (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): nitride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 12 variables; 43 reflections, RP = 0.0655; wRP = 0.0856; RB = 0.0434
  • Sample Detail(s): sample prepared from Mg[NH2]2, Ta3N5, chemical analysis, energy-dispersive X-ray analysis; Mg17.90N48.15Ta33.95; Mg and N content analyzed; Mg and Ta detected, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg1.88Ta4.12N6
  • Alphabetic Formula: Mg1.88N6Ta4.12
  • Published Formula: Mg1−xTa2+xN3, x= 0.06(1)
  • Refined Formula: Mg1.88N6Ta4.12
  • Wyckoff Sequence: 193,kgdb
  • Z Formula Units: 2
  • Density: ρ = 11.89 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1710797

  • 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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