Inorganic Solid Phases

Tl[B3O4(OH)2]·0.5H2O (Tl2B6O8[OH]4[H2O]) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): Tl2B6O8[OH]4[H2O]
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oP84
  • Space Group: 62
  • Phase Prototype: Tl2B6O8[OH]4[H2O]
  • Measurement Detail(s): automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of structural parameters), T = 293 K (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, borate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1154 reflections; F > 4σ(F), R = 0.052; wR = 0.055
  • Sample Detail(s): sample prepared from Tl2CO3, H3BO3, other phases: Tl2B4O7[H2O]3, Tl2B4O7[H2O]2 and Tl4B10O17[H2O]5, single crystal, 0.254×0.105×0.042 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Tl2B6O8[OH]4[H2O]
  • Alphabetic Formula: B6[H2O]O8[OH]4Tl2
  • Published Formula: Tl[B3O4(OH)2]·0.5H2O
  • Refined Formula: B6H6O13Tl2
  • Wyckoff Sequence: 62,d9c3
  • Z Formula Units: 4
  • Density: ρ = 3.88 Mg·m−3
View 3D Interactive Structure

Cite this page

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_1901584

  • 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

    Download this citation

    Citation copied