Inorganic Solid Phases

[Ti2O3(H2O)2](C2O4) (Ti2[C2O4]O3[H2O]2 ht) Crystal Structure

General Information

  • Phase Label(s): Ti2[C2O4]O3[H2O]2 ht
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS104
  • Space Group: 64
  • Phase Prototype: Ti2[C2O4]O3[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D5005 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters), T = 393 K (determination of cell parameters)
  • Phase Class(es):
  • Compound Class(es): oxalate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 425 reflections, R = 0.028; RP = 0.077; wRP = 0.096; RB = 0.052
  • Sample Detail(s): sample prepared from Ti2O3[H2O]2[C2O4][H2O], powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ti2[C2O4]O3[H2O]2
  • Alphabetic Formula: [C2O4][H2O]2O3Ti2
  • Published Formula: [Ti2O3(H2O)2](C2O4)
  • Refined Formula: C2H4O9Ti2
  • Wyckoff Sequence: 64,g4f2edc
  • Z Formula Units: 8
  • Density: ρ = 2.28 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_1906003

  • 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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