Inorganic Solid Phases

[(CO)3Fe(μ-PH2)]2 (Fe[PH2][CO]3, T = 123(1) K) Crystal Structure

General Information

  • Phase Label(s): Fe[PH2][CO]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP32
  • Space Group: 11
  • Phase Prototype: Fe[PH2][CO]3
  • Measurement Detail(s): automatic diffractometer; 8000 (determination of cell parameters), automatic diffractometer; STOE IPDS (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 123(1) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonyl, dihydrogenphosphide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 84 variables; 1414 reflections; I > 2σ(I), R = 0.0258; wR = 0.0751
  • Sample Detail(s): sample prepared from ([CO]4Fe[PH3]), single crystal (determination of cell parameters), single crystal, 0.22×0.27×0.42mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Fe[PH2][CO]3
  • Alphabetic Formula: [CO]3Fe[PH2]
  • Published Formula: [(CO)3Fe(μ-PH2)]2
  • Refined Formula: C3FeH2O3P
  • Wyckoff Sequence: 11,f7e2
  • Z Formula Units: 4
  • Density: ρ = 1.96 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_1639913

  • 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