Inorganic Solid Phases

K1.06Pd0.95Fe1.05F6 (K2.65Fe2.62Pd2.38F15) Crystal Structure

General Information

  • Phase Label(s): K2.65Fe2.62Pd2.38F15
  • Structure Class(es): tetragonal bronze
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP108
  • Space Group: 135
  • Phase Prototype: K2.65Fe2(Fe0.625Pd0.375)Pd2F15
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens AED2 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 72 variables; 1319 reflections, R = 0.042; wR = 0.085
  • Sample Detail(s): sample prepared from KF, FeF3, PdF2, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K2.65Fe2.625Pd2.375F15
  • Alphabetic Formula: F15Fe2.625K2.65Pd2.375
  • Published Formula: K1.06Pd0.95Fe1.05F6
  • Refined Formula: F15Fe2.62K2.64Pd2.38
  • Wyckoff Sequence: 135,i2h7gdcb
  • Z Formula Units: 4
  • Density: ρ = 4.00 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

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_1708214

  • 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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