Inorganic Solid Phases

(Cs3.5Rb0.5)[(Se0.85S0.15)O3]2[Te(OH)6]3 (Cs3.5Rb0.5Te3[SeO3]1.7[SO3]0.3[OH]18) Crystal Structure

General Information

  • Phase Label(s): Cs3.5Rb0.5Te3[SeO3]1.7[SO3]0.3[OH]18
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP132
  • Space Group: 56
  • Phase Prototype: (Cs0.88Rb0.12)4Te3[(Se0.85S0.15)O3]2[OH]18
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4F (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, sulfite, trioxoselenate(IV)
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 118 variables; 1216 reflections; I > 3σ(I), R = 0.039; wR = 0.040
  • Sample Detail(s): sample prepared from Rb2SeO4, Cs2SeO4, Cs2SO4, Rb2SO4, H6TeO6, inductive coupled plasma method; 26.14 wt.% Te, 32.50 wt.% Cs, 2.801 wt.% Rb, 9.24 wt.% Se, 0.5 wt.% S, single crystal (determination of cell parameters), single crystal, 0.15×0.31×0.35 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs3.5Rb0.5Te3[SeO3]1.7[SO3]0.3[OH]18
  • Alphabetic Formula: Cs3.5[OH]18Rb0.5[SO3]0.3[SeO3]1.7Te3
  • Published Formula: (Cs3.5Rb0.5)[(Se0.85S0.15)O3]2[Te(OH)6]3
  • Refined Formula: Cs3.50H18O24Rb0.50S0.30Se1.70Te3
  • Wyckoff Sequence: 56,e16d
  • Z Formula Units: 4
  • Density: ρ = 3.63 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_1931566

  • 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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