Inorganic Solid Phases

[(NH4+)0.75(H2O)3.25][Gd0.75U0.25(C2O4)2·H2O] ([NH4]0.75U0.25Gd0.75[C2O4]2[H2O]4.25) Crystal Structure

General Information

  • Phase Label(s): [NH4]0.75U0.25Gd0.75[C2O4]2[H2O]4.25
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP36
  • Space Group: 85
  • Phase Prototype: ([NH4]0.13[H2O]0.87)4(Y0.53U0.47)[C2O4]2[H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS X8 SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 273(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxalate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 44 variables; 1118 reflections; I > 2σ(I), R = 0.0235; wR = 0.0604
  • Sample Detail(s): sample prepared from tetraethoxysilane (TEOS), Na2SiO4, H2C2O4, HNO3, solutions of U4+, Gd3+ and NH4+, energy-dispersive X-ray analysis; composition confirmed, single crystal (determination of cell parameters), single crystal, 0.040×0.150×0.150 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [NH4]0.75U0.25Gd0.75[C2O4]2[H2O]4.25
  • Alphabetic Formula: [C2O4]2Gd0.75[H2O]4.25[NH4]0.75U0.25
  • Published Formula: [(NH4+)0.75(H2O)3.25][Gd0.75U0.25(C2O4)2·H2O]
  • Refined Formula: C4Gd0.75H11.50N0.75O12.25U0.25
  • Wyckoff Sequence: 85,g4c2
  • Z Formula Units: 2
  • Density: ρ = 2.41 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_1620439

  • 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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