Inorganic Solid Phases

Zn2(SeO3)Cl2 (Zn2[SeO3]Cl2 orth) Crystal Structure

General Information

  • Phase Label(s): Zn2[SeO3]Cl2 orth
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): sofiite
  • Pearson Symbol: oP64
  • Space Group: 56
  • Phase Prototype: Zn2[SeO3]Cl2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): trioxoselenate(IV), chloride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 666 reflections; I > 1.96σ(I), R = 0.053; wR = 0.059
  • Sample Detail(s): sophiite sample from Russia, Kamchatka Peninsula, Tolbachik volcanic complex, electron microprobe analysis; 47.83 wt.% ZnO, 34.48 wt.% SeO2, 22.26 wt.% Cl, 0.35 wt.% PbO, 0.19 wt.% CuO, single crystal (determination of cell parameters), single crystal, 0.15×0.25×0.55 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Zn2[SeO3]Cl2
  • Alphabetic Formula: Cl2[SeO3]Zn2
  • Published Formula: Zn2(SeO3)Cl2
  • Refined Formula: Cl2O3SeZn2
  • Wyckoff Sequence: 56,e8
  • Z Formula Units: 8
  • Density: ρ = 3.66 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1813208

  • 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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