Crystallography Open Database

Information card for entry 2300249

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Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Formula	D2 O
Calculated formula	D2 O
SMILES	O([2H])[2H]
Title of publication	Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa
Authors of publication	Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F.
Journal of publication	Journal of Applied Crystallography
Year of publication	2009
Journal volume	42
Journal issue	5
Pages of publication	846 - 866
a	12.87078 ± 0.00012 Å
b	12.87078 Å
c	6.1827 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	886.99 ± 0.017 Å³
Number of distinct elements	2
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Method of determination	powder diffraction
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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