Inorganic Solid Phases

Tl3{Tl0.5(H3O)0.5}H14(PO4)8·4H2O (H14[H3O]0.5Tl3.5[PO4]8[H2O]4 tricl) Crystal Structure

General Information

  • Phase Label(s): H14[H3O]0.5Tl3.5[PO4]8[H2O]4 tricl
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP96
  • Space Group: 2
  • Phase Prototype: H14[H3O]Al3[PO4]8[H2O]4
  • Measurement Detail(s): automatic diffractometer; 24 (determination of cell parameters), automatic diffractometer; Enraf-Nonius (determination of structural parameters), X-rays, Ag Kα; λ = 0.05608 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, hydrate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 3589 reflections; F > 3σ(F), R = 0.07; wR = 0.08
  • Sample Detail(s): sample prepared from Tl2O3, H3PO4, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H14[H3O]0.4Tl3.6[PO4]8[H2O]4
  • Alphabetic Formula: H14[H2O]4[H3O]0.4[PO4]8Tl3.6
  • Published Formula: Tl3{Tl0.5(H3O)0.5}H14(PO4)8·4H2O
  • Refined Formula: H9.20O36.40P8Tl3.60
  • Wyckoff Sequence: 2,i48
  • Z Formula Units: 2
  • Density: ρ = 3.46 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1901581

  • 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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