Inorganic Solid Phases

8CCl4·3.5Xe·136D2O (Xe0.44[CCl4][D2O]17, T = 13 K) Crystal Structure

General Information

  • Phase Label(s): Xe0.44[CCl4][D2O]17
  • Structure Class(es): clathrate
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF160
  • Space Group: 227
  • Phase Prototype: CsNa2Si17
  • Measurement Detail(s): automatic diffractometer; 32 (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, HFBR, H6M (determination of structural parameters), neutrons; λ = 0.10470 nm (determination of cell and structural parameters), T = 13 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydrate-D
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, full-matrix least-squares refinement on F2; 64 variables; 524 reflections, R = 0.041; wR = 0.040
  • Sample Detail(s): sample prepared from CCl4, D2O, Xe, single crystal (determination of cell parameters), single crystal, 1.7×2.0×2.4 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Xe0.44[CCl4][D2O]17
  • Alphabetic Formula: [CCl4][D2O]17Xe0.44
  • Published Formula: 8CCl4·3.5Xe·136D2O
  • Refined Formula:
  • Wyckoff Sequence: 227,gecba
  • Z Formula Units: 8
  • Density: ρ = 1.44 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

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1002127

  • 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

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