Inorganic Solid Phases

0.5 % Cr3+-doped Cs2NaGaF6; Cs2NaGaF6:0.5Cr3+ (Cs2NaCr0.005Ga0.995F6) Crystal Structure

General Information

  • Phase Label(s): Cs2NaCr0.005Ga0.995F6
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR60
  • Space Group: 166
  • Phase Prototype: Ba2Ni[TeO6]
  • Measurement Detail(s): automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 296 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): fluoride
  • Interpretation Detail(s): complete structure determined, block-diagonal least-squares refinement on F2; 28 variables, R = 0.0183; wR = 0.0434
  • Sample Detail(s): single crystal, 0.25×0.25×0.5 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs2NaCr0.005Ga0.995F6
  • Alphabetic Formula: Cr0.005Cs2F6Ga0.995Na
  • Published Formula: 0.5 % Cr3+-doped Cs2NaGaF6; Cs2NaGaF6:0.5Cr3+
  • Refined Formula: Cs2F6GaNa
  • Wyckoff Sequence: 166,h2c3ba
  • Z Formula Units: 6
  • Density: ρ = 4.61 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1023265

  • 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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