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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/61/2106174.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106174
loop_
_publ_author_name
'Alcock, N.W.'
_publ_section_title
;
 Refinement of the crystal structure of lithium hydroxide monohydrate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1682
_journal_page_last               1683
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'H3 Li O2'
_chemical_name_systematic        'Li (O H) (H2 O)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.3
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.37
_cell_length_b                   8.26
_cell_length_c                   3.19
_cell_volume                     182.133
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Alcock_ACBCAR_1971_86.cif
_cod_data_source_block           H3Li1O2
_cod_original_cell_volume        182.1334
_cod_original_formula_sum        'H3 Li1 O2'
_cod_database_code               2106174
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
H2 H+1 0.107 0.118 0.004 1 0.0
O2 O-2 0 0.2066 0 1 0.0
Li1 Li+1 0 0.3474 0.5 1 0.0
H1 H+1 0.237 0 0.631 1 0.0
O1 O-2 0.2857 0 0.3952 1 0.0
