Inorganic Solid Phases

l-Nb6I11 (Nb6I11 lt, T = 258 K) Crystal Structure

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General Information

  • Phase Label(s): Nb6I11 lt
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oP68
  • Space Group: 33
  • Phase Prototype: Nb6I11
  • Measurement Detail(s): automatic diffractometer; 10 (determination of cell parameters), automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 258 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): iodide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, full-matrix least-squares refinement on F; 153 variables; 3212 reflections; I > 1.96σ(I), R = 0.046; wR = 0.042
  • Sample Detail(s): sample prepared from Nb3I8, Nb, single crystal (determination of cell parameters), single crystal, 0.1-0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Nb6I11
  • Alphabetic Formula: I11Nb6
  • Published Formula: l-Nb6I11
  • Refined Formula: I11Nb6
  • Wyckoff Sequence: 33,a17
  • Z Formula Units: 4
  • Density: ρ = 5.54 Mg·m−3
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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
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1300226

  • 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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