#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/00/02/8000218.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_8000218
loop_
_publ_author_name
'Gajewski, G.'
'Mierzwicki, K.'
'Latajka, Z.'
_publ_section_title
;
 Crystal structure and bonding properties of Li2 I (O H)
;
_journal_name_full               'Chemical Physics Letters'
_journal_page_first              139
_journal_page_last               144
_journal_volume                  369
_journal_year                    2003
_chemical_formula_sum            'H I Li2 O'
_chemical_name_systematic        'Li2 I (O H)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.339
_cell_length_b                   5.567
_cell_length_c                   6.643
_cell_volume                     382.353
_citation_journal_id_ASTM        CHPLBC
_cod_data_source_file            Gajewski_CHPLBC_2003_54.cif
_cod_data_source_block           H1I1Li2O1
_cod_original_cell_volume        382.3526
_cod_original_formula_sum        'H1 I1 Li2 O1'
_cod_database_code               8000218
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
I1 I-1 0.1725 0.25 0.0873 1 0.0
Li1 Li+1 0.3888 0.9992 0.947 1 0.0
O1 O-2 0.0163 0.25 0.5836 1 0.0
H1 H+1 0.042 0.25 0.7255 1 0.0
