Crystallography Open Database

Information card for entry 2101141

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Original IUCr paper	HTML

Structure parameters

Formula	H3 Li O2
Calculated formula	H3 Li O2
Title of publication	Structural, vibrational and electronic properties of a crystalline hydrate from <i>ab initio</i> periodic Hartree‒Fock calculations
Authors of publication	Ojamäe, L.; Hermansson, K.; Pisani, C.; Causà, M.; Roetti, C.
Journal of publication	Acta Crystallographica Section B
Year of publication	1994
Journal volume	50
Journal issue	3
Pages of publication	268 - 279
a	7.4153 ± 0.0002 Å
b	8.3054 ± 0.0002 Å
c	3.195 ± 0.0001 Å
α	90°
β	110.107 ± 0.004°
γ	90°
Cell volume	184.778 ± 0.01 Å³
Number of distinct elements	3
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Diffraction radiation probe	neutron
Diffraction radiation wavelength	1.21 Å
Diffraction radiation type	Neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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