#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (mar 27 de ene de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/04/1010456.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010456
loop_
_publ_author_name
'Pepinsky, R'
_publ_section_title
;
Crystal Structure of Lithium Hydroxide Monohydrate
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              119
_journal_page_last               140
_journal_volume                  102
_journal_year                    1940
_chemical_formula_structural     'Li (O H) (H2 O)'
_chemical_formula_sum            'H3 Li O2'
_chemical_name_systematic        'Lithium hydroxide hydrate'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                     182.1
_cod_database_code               1010456
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z
-x,-y,-z
-x,y,-z
1/2+x,1/2+y,z
1/2+x,1/2-y,z
1/2-x,1/2-y,-z
1/2-x,1/2+y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Li1 Li1+ 4 h 0. 0.35 0.5 1. 0 d
O1 O2- 4 g 0. 0.211 0. 1. 2 d
O2 O2- 4 i 0.286 0. 0.389 1. 1 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Li1+ 1.000
O2- -2.000
H1+ 1.000
