Inorganic Solid Phases

K3ReD6 Crystal Structure

General Information

  • Phase Label(s): K3ReD6
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF40
  • Space Group: 225
  • Phase Prototype: [NH4]3FeF6
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Denmark, Roskilde, Riso National Laboratory, DR3 reactor, TAS1 (determination of structural parameters), neutrons; λ = 0.201851 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): deuteride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 18 reflections, RB = 0.044
  • Sample Detail(s): sample prepared from Re, KD, D2, amounts of unidentified phase (hexagonal), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K3ReD6
  • Alphabetic Formula: D6K3Re
  • Published Formula: K3ReD6
  • Refined Formula: D6K3Re
  • Wyckoff Sequence: 225,ecba
  • Z Formula Units: 4
  • Density: ρ = 3.27 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_1702312

  • 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