Inorganic Solid Phases

Cs4Nb6F8.5I9.5 (Cs8Nb12I19F17) Crystal Structure

General Information

  • Phase Label(s): Cs8Nb12I19F17
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS126
  • Space Group: 12
  • Phase Prototype: Cs8Nb12I19F17
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): fluoride, iodide
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F2; 161 variables; 4120 reflections; I > 2σ(I), R = 0.057; wR = 0.0159
  • Sample Detail(s): sample prepared from Nb6F15, CsI, energy-dispersive X-ray analysis; composition confirmed; amounts of unidentified phase, single crystal (determination of cell parameters), single crystal, 0.012×0.03×0.054 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs8Nb12I19F17
  • Alphabetic Formula: Cs8F17I19Nb12
  • Published Formula: Cs4Nb6F8.5I9.5
  • Refined Formula: Cs8.06F17.16I18.84Nb12
  • Wyckoff Sequence: 12,j11i7hga
  • Z Formula Units: 2
  • Density: ρ = 4.51 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_1200639

  • 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