Inorganic Solid Phases

[{Ce(H2O)5}2{Ni(S2C2O2)2}3]·10H2O (Ce2Ni3[C2O2S2]6[H2O]23, T = 210 K) Crystal Structure

General Information

  • Phase Label(s): Ce2Ni3[C2O2S2]6[H2O]23
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP138
  • Space Group: 14
  • Phase Prototype: Ce2Ni3[C2O2S2]6[H2O]23
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 210 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): dithiooxalate, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement; 346 variables; 6741 reflections, R = 0.0406; wR = 0.0899
  • Sample Detail(s): thermogravimetry; ((Ce[H2O]5)2(Ni(S2C2O2)2)3)[H2O]10, (approximate composition: some water molecules released at dry laboratory air), single crystal (determination of cell parameters), single crystal, 0.21×0.23×0.32 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ce2Ni3[C2O2S2]6[H2O]23
  • Alphabetic Formula: [C2O2S2]6Ce2[H2O]23Ni3
  • Published Formula: [{Ce(H2O)5}2{Ni(S2C2O2)2}3]·10H2O
  • Refined Formula: C12Ce2H46Ni3O35S12
  • Wyckoff Sequence: 14,e34a
  • Z Formula Units: 2
  • Density: ρ = 2.12 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_1218583

  • 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