Inorganic Solid Phases

Fe0.97(6)Pd1.42(1)Zn10.61(5) in "Fe1.5Pd1.5Zn10" (Zn10.52Fe1.36Pd1.12) Crystal Structure

General Information

  • Phase Label(s): Zn10.52Fe1.36Pd1.12
  • Structure Class(es): γ-brass
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI52
  • Space Group: 217
  • Phase Prototype: Zn9(Zn0.5Fe0.5)2Fe2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): intermetallic
  • Interpretation Detail(s): complete structure determined; composition dependence studied, full-matrix least-squares refinement on F2; 22 variables; 202 reflections, R = 0.0126; wR = 0.0237
  • Sample Detail(s): sample prepared from Fe, Zn, Pd, energy-dispersive X-ray analysis; Fe1.2(2)Pd1.0(2)Zn10.8(6); amounts of PdZn2 and α-Fe, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Zn10.61Fe0.97Pd1.42
  • Alphabetic Formula: Fe0.97Pd1.42Zn10.61
  • Published Formula: Fe0.97(6)Pd1.42(1)Zn10.61(5) in "Fe1.5Pd1.5Zn10"
  • Refined Formula: Fe0.97Pd1.42Zn10.61
  • Wyckoff Sequence: 217,gec2
  • Z Formula Units: 4
  • Density: ρ = 7.98 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_1722850

  • 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