Inorganic Solid Phases

[Nb6Cl12(OH)2(H2O)4]·10H2O (Nb3Cl6[OH][H2O]7, T = 173 K) Crystal Structure

General Information

  • Phase Label(s): Nb3Cl6[OH][H2O]7
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF136
  • Space Group: 225
  • Phase Prototype: Nb3Cl6[OH][H2O]7
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 173 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 14 variables; 172 reflections; I > 3σ(I), R = 0.028; wR = 0.029
  • Sample Detail(s): sample prepared from ([Nb6Cl12]Cl2[H2O]4)[H2O]4, RbOH, CH3OH, chemical analysis; 33.45 wt.% Cl, 43.70 wt.% Nb, single crystal (determination of cell parameters), single crystal, 0.20×0.20×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Nb3Cl6[OH][H2O]7
  • Alphabetic Formula: Cl6[H2O]7Nb3[OH]
  • Published Formula: [Nb6Cl12(OH)2(H2O)4]·10H2O
  • Refined Formula: Cl6H15Nb3O8
  • Wyckoff Sequence: 225,hfe2c
  • Z Formula Units: 8
  • Density: ρ = 2.71 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1612658

  • 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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