Inorganic Solid Phases

(Ni0.97Fe0.03)8(Si0.79P0.21)3 (Fe0.24Ni7.76Si2.37P0.63) Crystal Structure

General Information

  • Phase Label(s): Fe0.24Ni7.76Si2.37P0.63
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): perryite
  • Pearson Symbol: hR132
  • Space Group: 167
  • Phase Prototype: Yb8In3
  • Measurement Detail(s): automatic diffractometer; 20 (determination of cell parameters), automatic diffractometer; Rigaku AFC4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): phosphide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F; 333 reflections; F > 3σ(F), R = 0.027; wR = 0.019
  • Sample Detail(s): perryite sample from synthetic, electron microprobe analysis, twinned crystal (determination of cell parameters), twinned crystal, 0.04×0.12×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Fe0.24Ni7.76Si2.37P0.63
  • Alphabetic Formula: Fe0.24Ni7.76P0.63Si2.37
  • Published Formula: (Ni0.97Fe0.03)8(Si0.79P0.21)3
  • Refined Formula: Fe0.24Ni7.76P0.63Si2.37
  • Wyckoff Sequence: 161,b5a7
  • Z Formula Units: 12
  • Density: ρ = 7.63 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
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_1405960

  • 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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