Inorganic Solid Phases

[UO₂(O₂)₃]₁₂[(UO₂(OH)₄)Li₁₆(H₂O)₂₈]₃·Li₆[H₂O]₆ (Li₁₈[UO₂]₅[O₂]₁₂[OH]₄[H₂O]₃₀, T = 173 K) Crystal Structure

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General Information

Phase Label(s): Li₁₈[UO₂]₅[O₂]₁₂[OH]₄[H₂O]₃₀
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: cP414
Space Group: 221
Phase Prototype: Li₁₈[UO₂]₅[O₂]₁₂[OH]₄[H₂O]₃₀
Measurement Detail(s): automatic diffractometer; 100 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 173 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): hydroxide, peroxide, hydrate
Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 96 variables; 818 reflections; I > 2σ(I), R = 0.0308; wR = 0.1002
Sample Detail(s): sample prepared from DI water, H₂O₂, LiOH, UO₂[NO₃]₂[H₂O], C₂H₅OH (ethanol), single crystal (determination of cell parameters), single crystal, 0.10×0.10×0.10 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Li₁₈[UO₂]₅[O₂]₁₂[OH]₄[H₂O]₃₀
Alphabetic Formula: [H₂O]₃₀Li₁₈[OH]₄[O₂]₁₂[UO₂]₅
Published Formula: [UO₂(O₂)₃]₁₂[(UO₂(OH)₄)Li₁₆(H₂O)₂₈]₃·Li₆[H₂O]₆
Refined Formula: H₁₆Li₁₈O_76.64U₅
Wyckoff Sequence: 221,nm⁸lk³ji²hf²e²dc
Z Formula Units: 3
Density: ρ = 2.31 Mg·m⁻³

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Crystallographic Data

Cell Parameters

	Published Data	Standardized Data
	Published Data	Unit Cell	Niggli-Reduced Cell
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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.
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Published

Site	Element	Wyckoff Symbol	Symmetry	X	Y	Z	Occupation
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Displacement Parameters

Isotropic

Site	Published U [nm²]	Type	Computed B_eq [nm²]
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Anisotropic

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

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Reference

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3D Interactive Structure

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About this content

Database name

PAULING FILE Multinaries Edition – 2012

Dataset ID

sd_1630803

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.

Project Coordinator: Shuichi Iwata

Section-Editor: Karin Cenzual (Crystal Structures)

Cite this content

Pierre Villars (Chief Editor), PAULING FILE in: Inorganic Solid Phases, SpringerMaterials (online database), Springer, Heidelberg (ed.) SpringerMaterials [UO2(O2)3]12[(UO2(OH)4)Li16(H2O)28]3·Li6[H2O]6 (Li18[UO2]5[O2]12[OH]4[H2O]30, T = 173 K) Crystal Structure sd_1630803 (Springer-Verlag GmbH, Heidelberg, © 2016)

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