Inorganic Solid Phases

(Na)3+x(Sb2O3)3(SbS3)(OH)x·(2.8-x)H2O, x= 0.6 (Na3.6Sb7S3O9[OH]0.6[H2O]2.4) Crystal Structure

General Information

  • Phase Label(s): Na3.6Sb7S3O9[OH]0.6[H2O]2.4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP60
  • Space Group: 173
  • Phase Prototype: Na3.6Sb7S3O9[OH]0.6[H2O]2.4
  • Measurement Detail(s): automatic diffractometer; 24 (determination of cell parameters), automatic diffractometer; Rigaku AFC5 (determination of structural parameters), X-rays, Mo Kα; λ = 0.070926 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, oxide, sulfide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1434 reflections; I > 3σ(I), R = 0.048; wR = 0.048
  • Sample Detail(s): single crystal (determination of cell parameters), single crystal, 0.05×0.1×0.1 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na3.6Sb7S3O9[OH]0.6[H2O]2.4
  • Alphabetic Formula: [H2O]2.4Na3.6O9[OH]0.6S3Sb7
  • Published Formula: (Na)3+x(Sb2O3)3(SbS3)(OH)x·(2.8-x)H2O, x= 0.6
  • Refined Formula: H5.40Na3.61O12S3Sb7
  • Wyckoff Sequence: 173,c9b2a
  • Z Formula Units: 2
  • Density: ρ = 4.22 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1616222

  • 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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