Inorganic Solid Phases

[Pr66-O)(μ3-OH)8(NO3)6(H2O)14]·2NO3·2H2O; [Pr6O(OH)8(NO3)6(H2O)14](NO3)2·2H2O (Pr6[NO3]8O[OH]8[H2O]16) Crystal Structure

General Information

  • Phase Label(s): Pr6[NO3]8O[OH]8[H2O]16
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP122
  • Space Group: 14
  • Phase Prototype: Y6[NO3]8O[OH]8[H2O]14
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 298(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): nitrate, hydroxide, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 287 variables; 6693 reflections; F2 > 2σ(F2), R = 0.0401; wR = 0.0944
  • Sample Detail(s): sample prepared from NaOH, Pr[NO3]3, chemical analysis; 47.5 wt.% Pr, 6.1 wt.% N, 44.1 wt.% O, 6.3 wt.% H, single crystal (determination of cell parameters), single crystal, 0.08×0.08×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Pr6[NO3]8O[OH]8[H2O]16
  • Alphabetic Formula: [H2O]16[NO3]8O[OH]8Pr6
  • Published Formula: [Pr66-O)(μ3-OH)8(NO3)6(H2O)14]·2NO3·2H2O; [Pr6O(OH)8(NO3)6(H2O)14](NO3)2·2H2O
  • Refined Formula: H40N8O49Pr6
  • Wyckoff Sequence: 14,e31a
  • Z Formula Units: 2
  • Density: ρ = 2.84 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1628096

  • 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