Inorganic Solid Phases

(S2)1+x[Bi9−xTex(OH)6O8(SO4)2]2, x= 0.82 (Bi8.18Te0.82S1.82[SO4]2O8[OH]6) Crystal Structure

General Information

  • Phase Label(s): Bi8.18Te0.82S1.82[SO4]2O8[OH]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP70
  • Space Group: 190
  • Phase Prototype: Bi6(Bi0.73Te0.27)3S1.82[SO4]2O8[OH]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; FEI Tecnai G2 F30 ST (determination of structural parameters), electrons; λ = 0.00197 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, sulfate, oxide, sulfide
  • Interpretation Detail(s): positions of non-H atoms determined; absolute structure determined, least-squares refinement; 34 variables; 332 reflections; I > 4σ(I), R = 0.2169; wR = 0.4780
  • Sample Detail(s): sample from Italy, Crodo, Alfenza mine, energy-dispersive X-ray analysis; Bi/S ratio 2.17, single crystal (determination of cell parameters), single crystal, 0.00010×0.00014×0.00024 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Bi8.18Te0.82S1.82[SO4]2O8[OH]6
  • Alphabetic Formula: Bi8.18O8[OH]6S1.82[SO4]2Te0.82
  • Published Formula: (S2)1+x[Bi9−xTex(OH)6O8(SO4)2]2, x= 0.82
  • Refined Formula: Bi8.19H6O22S3.82Te0.81
  • Wyckoff Sequence: 190,i3h3f3e
  • Z Formula Units: 2
  • Density: ρ = 6.33 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]

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_1235055

  • 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