Inorganic Solid Phases

Na2(SbAs)8S13·2H2O (Na2Sb7.2As0.8S13[H2O]2) Crystal Structure

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General Information

  • Phase Label(s): Na2Sb7.2As0.8S13[H2O]2
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): gerstleyite
  • Pearson Symbol: mS50
  • Space Group: 8
  • Phase Prototype: Na2(Sb0.9As0.1)8S13[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Picker FACS-I (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters)
  • Phase Class(es): –
  • Compound Class(es): sulfide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 863 reflections; F > 3σ(F), R = 0.075
  • Sample Detail(s): gerstleyite sample from U.S.A. California, Kern County, Boron, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na2Sb7.2As0.8S13[H2O]2
  • Alphabetic Formula: As0.8[H2O]2Na2S13Sb7.2
  • Published Formula: Na2(SbAs)8S13·2H2O
  • Refined Formula: As0.80H4Na2O2S13Sb7.20
  • Wyckoff Sequence: 8,b11a3
  • Z Formula Units: 2
  • Density: ρ = 3.72 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

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_1804035

  • 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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