Inorganic Solid Phases

(NH4)4[(UO2)2(C2O4)(SO4)2(NCS)2]·6H2O ([NH4]4[UO2]2[C2O4][SCN]2[SO4]2[H2O]6) Crystal Structure

General Information

  • Phase Label(s): [NH4]4[UO2]2[C2O4][SCN]2[SO4]2[H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP92
  • Space Group: 55
  • Phase Prototype: Cs4[UO2]2[C2O4][SCN]2[SO4]2[H2O]4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker-Nonius X8 APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxalate, thiocyanate, sulfate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 140 variables; 1617 reflections; I > 2σ(I), R = 0.0179; wR = 0.0429
  • Sample Detail(s): sample prepared from UO2SO4, NH4NCS, [NH4]2C2O4, single crystal (determination of cell parameters), single crystal, 0.096×0.113×0.122 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [NH4]4[UO2]2[C2O4][SCN]2[SO4]2[H2O]6
  • Alphabetic Formula: [C2O4][H2O]6[NH4]4[SCN]2[SO4]2[UO2]2
  • Published Formula: (NH4)4[(UO2)2(C2O4)(SO4)2(NCS)2]·6H2O
  • Refined Formula: C4H28N6O22S4U2
  • Wyckoff Sequence: 55,i6h5g4fe
  • Z Formula Units: 2
  • Density: ρ = 2.58 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1124464

  • 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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