Inorganic Solid Phases

(K0.95Tl0.05)ZnCl3·2H2O; KZnCl3·2H2O (K0.95Tl0.05ZnCl3[H2O]2) Crystal Structure

General Information

  • Phase Label(s): K0.95Tl0.05ZnCl3[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): cryobostryxite
  • Pearson Symbol: mP28
  • Space Group: 14
  • Phase Prototype: KZnCl3[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur S (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 77 variables; 1569 reflections; I > 2σ(I), R = 0.0654; wR = 0.0878
  • Sample Detail(s): cryobostryxite sample from Russia, Kamchatka Peninsula, Tolbachik volcanic complex, sample prepared from cryobostryxite, electron microprobe analysis; (K0.96Tl0.05)Zn1.00Cl2.99·2H2O, single crystal (determination of cell parameters), single crystal, 0.06×0.16×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.95Tl0.05ZnCl3[H2O]2
  • Alphabetic Formula: [H2O]2Cl3K0.95Tl0.05Zn
  • Published Formula: (K0.95Tl0.05)ZnCl3·2H2O; KZnCl3·2H2O
  • Refined Formula: Cl3H4K0.95O2Tl0.05Zn
  • Wyckoff Sequence: 14,e7
  • Z Formula Units: 4
  • Density: ρ = 2.31 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1238903

  • 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