Crystallography Open Database

Information card for entry 2300254

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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	12.8396 ± 0.001 Å
b	12.8396 Å
c	6.1628 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	879.86 ± 0.12 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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