Inorganic Solid Phases

Sn1.24Ti1.94O3.66(OH)1.50F1.42 (Ti1.94Sn1.24O3.66[OH]1.50F1.42 rt) Crystal Structure

General Information

  • Phase Label(s): Ti1.94Sn1.24O3.66[OH]1.50F1.42 rt
  • Structure Class(es): pyrochlore family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF96
  • Space Group: 227
  • Phase Prototype: Eu2Zr2O7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Shimadzu XD-D1 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, fluoride, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 29 variables; 47 reflections, RP = 0.0548; wRP = 0.0706; RB = 0.0203
  • Sample Detail(s): sample prepared from SnF2, Ti(i-C3H7O), [NH4][OH], inductive coupled plasma method, X-ray fluorescence spectroscopy; 42.1 wt.% Sn, 26.2 wt.% Ti, 23.2 wt.% O, 0.5 wt.% H, 8.0 wt.% F; trace amounts of C and N detected; Sn/Ti/F ratio 0.65/1.0/0.78, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ti1.94Sn1.24O3.66[OH]1.50F1.42
  • Alphabetic Formula: F1.42O3.66[OH]1.50Sn1.24Ti1.94
  • Published Formula: Sn1.24Ti1.94O3.66(OH)1.50F1.42
  • Refined Formula: F1.42H1.50O5.16Sn1.24Ti1.94
  • Wyckoff Sequence: 227,fdcba
  • Z Formula Units: 8
  • Density: ρ = 4.17 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1603018

  • 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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