Inorganic Solid Phases

Cs[(CF3)3B-OH] (CsB[CF3]3[OH]) Crystal Structure

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General Information

  • Phase Label(s): CsB[CF3]3[OH]
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hP90
  • Space Group: 176
  • Phase Prototype: Cs[CF3]3B[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens P3 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 294 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 78 variables; 1041 reflections; I > 2σ(I), R = 0.0371; wR = 0.1117
  • Sample Detail(s): sample prepared from [CF3]3BNH3[H2O]4, Cs2CO3, CsOH[H2O], chemical analysis; multi-phase sample, single crystal (determination of cell parameters), single crystal, 0.14×0.14×0.60 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs[CF3]3B[OH]
  • Alphabetic Formula: B[CF3]3Cs[OH]
  • Published Formula: Cs[(CF3)3B-OH]
  • Refined Formula: BC3CsF9HO
  • Wyckoff Sequence: 176,i5h4fb
  • Z Formula Units: 6
  • Density: ρ = 2.65 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1812079

  • 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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