Inorganic Solid Phases

Pr4[P1−x(C2)x]3, x= 0.35 (Pr4P1.95C2.1) Crystal Structure

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General Information

  • Phase Label(s): Pr4P1.95C2.1
  • Structure Class(es): –
  • Classification by Properties: antiferromagnet AFM
  • Mineral Name(s): –
  • Pearson Symbol: cI52
  • Space Group: 199
  • Phase Prototype: La4P1.92C2.16
  • Measurement Detail(s): Guinier film (determination of cell parameters), automatic diffractometer; Rigaku AFC7 (determination of structural parameters), X-rays, Cu Kα; λ = 0.15406 nm (determination of cell parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): carbide, phosphide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, full-matrix least-squares refinement; 17 variables; 352 reflections; I > 3σ(I), R = 0.026; wR = 0.022
  • Sample Detail(s): sample prepared from PrP, PrC2, Pr, electron microprobe analysis, powder (determination of cell parameters), twinned crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: Pr4P1.95C2.1
  • Alphabetic Formula: C2.1P1.95Pr4
  • Published Formula: Pr4[P1−x(C2)x]3, x= 0.35
  • Refined Formula: C2.10P1.95Pr4
  • Wyckoff Sequence: 199,b3a2
  • Z Formula Units: 4
  • Density: ρ = 6.31 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1930921

  • 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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