Inorganic Solid Phases

Cs[Pr(H2O)3(SO4)2]H2O (CsPr[SO4]2[H2O]4) Crystal Structure

General Information

  • Phase Label(s): CsPr[SO4]2[H2O]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP64
  • Space Group: 14
  • Phase Prototype: [NH4]Sm[SO4]2[H2O]4
  • Measurement Detail(s): Weissenberg photographs (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Cu Kα1 (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 2346 reflections; I > 3σ(I), R = 0.020; wR = 0.023
  • Sample Detail(s): sample prepared from Pr2[SO4]3, Cs2[SO4], single crystal (determination of cell parameters), single crystal, 0.25×0.30×0.40 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CsPr[SO4]2[H2O]4
  • Alphabetic Formula: Cs[H2O]4Pr[SO4]2
  • Published Formula: Cs[Pr(H2O)3(SO4)2]H2O
  • Refined Formula: CsH8O12PrS2
  • Wyckoff Sequence: 14,e16
  • Z Formula Units: 4
  • Density: ρ = 3.19 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

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_1602891

  • 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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