Inorganic Solid Phases

D₂O₂ ([D₂O₂] lt, T = 258 K) Crystal Structure

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General Information

Phase Label(s): [D₂O₂] lt
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: tP16
Space Group: 92
Phase Prototype: [H₂O₂]
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Maryland, Gaithersburg, NIST Center for Neutron Research, NBSR (determination of structural parameters), neutrons; λ = 0.1230 nm (determination of cell and structural parameters), T = 258 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): peroxide
Interpretation Detail(s): complete structure determined; refinement techniques compared, least-squares refinement on F; 106 reflections, wR = 0.030
Sample Detail(s): isotopic purity 99 %, single crystal (determination of cell parameters), single crystal, 2×2×5 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: [D₂O₂]
Alphabetic Formula: [D₂O₂]
Published Formula: D₂O₂
Refined Formula: D₂O₂
Wyckoff Sequence: 92,b²
Z Formula Units: 4
Density: ρ = 1.84 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

Anisotropic

Site	β₁₁ [nm²]	β₂₂ [nm²]	β₃₃ [nm²]	β₁₂ [nm²]	β₁₃ [nm²]	β₂₃ [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_1251156

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 D2O2 ([D2O2] lt, T = 258 K) Crystal Structure sd_1251156 (Springer-Verlag GmbH, Heidelberg, © 2016)

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