Hydrogen bond studies. CXXXVIII. Neutron diffraction studies of LiNO 3.3H 2O at 120 and 295K
1980 (English)In: Acta Crystallogr. B, Struct. Crystallogr. Cryst. Chem. (Denmark), ISSN 0567-7408, Vol. B36, 1032-1040 p.Article in journal (Refereed) Published
For pt.CXXXVII see ibid., vol.B35, p.2384 (1979). LiNO 3.3H 2O has been studied by neutron diffraction at 120 and 295 K. The final R(w.F 2) values are 4.5% (120K) and 4.9% (295K). The crystal structure found in a previous room-temperature X-ray study is confirmed: one water molecule is involved in six hydrogen bonds; the other independent water molecule in the structure has a tetrahedral environment comprising two Li + ions and two medium-strong hydrogen bonds. The four different O...O hydrogen-bond lengths increase by 0.02-0.03 Aring going from 120 to 295K. The mean-square amplitudes of vibration for the N and O atoms are found to be closely proportional to temperature. For the H and Li atoms the vibrational amplitudes are less sensitive to temperature. Crystal data: space group Cmcm, Z=4; at 120K a=6.713 (7), b=12.669 (4), c=5.968 (5) Aring; at 295K a=6.8018 (4), b=12.7132 (9), c=5.9990 (4) Aring.
Place, publisher, year, edition, pages
1980. Vol. B36, 1032-1040 p.
Experimental/ crystal atomic structure of inorganic compounds, hydrogen bonds, lithium compounds, neutron diffraction examination of materials/ crystal structure, X-ray study, tetrahedral environment, bond lengths, vibrational amplitudes, space group, hydrogen bond studies, neutron diffraction studies, LiNO 3.3H 2O, 120 and 295K/ A3520G Molecular bond strengths, dissociation energies, hydrogen bonding A6160 Crystal structure of specific inorganic compounds
IdentifiersURN: urn:nbn:se:uu:diva-228739ISI: 1568065OAI: oai:DiVA.org:uu-228739DiVA: diva2:734773