Inorganic Solid Phases

[Pr(O2CCF3)3]·3H2O (Pr[CF3CO2]3[H2O]3) Crystal Structure

General Information

  • Phase Label(s): Pr[CF3CO2]3[H2O]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP100
  • Space Group: 14
  • Phase Prototype: Pr[CF3CO2]3[H2O]3
  • Measurement Detail(s): automatic diffractometer; 12 (determination of cell parameters), automatic diffractometer; Hilger-Watts (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): trifluoro-acetate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 2944 reflections; I > 3σ(I), R = 0.080
  • Sample Detail(s): sample prepared from praseodymium carbonate, CF3COOH, chemical analysis; C19.62F29.63H17.45O30.01Pr3.28, single crystal (determination of cell parameters), single crystal, 0.15×0.15×0.20 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Pr[CF3CO2]3[H2O]3
  • Alphabetic Formula: [CF3CO2]3[H2O]3Pr
  • Published Formula: [Pr(O2CCF3)3]·3H2O
  • Refined Formula: C6F9H6O9Pr
  • Wyckoff Sequence: 14,e25
  • Z Formula Units: 4
  • Density: ρ = 2.23 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_1905736

  • 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

    Citation copied