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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/97/1529780.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_1529780
loop_
_publ_author_name
'Crettez, J.M.'
'Coquet, E.'
'Pannetier, J.'
'Bouillot, J.'
'Durand-Le Floch, M.'
_publ_section_title
;
 Neutron structure refinement of gamma- and beta-lithium: Comparison
 between alpha, gamma, and beta phases
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              133
_journal_page_last               147
_journal_volume                  56
_journal_year                    1985
_chemical_formula_sum            'I Li O3'
_chemical_name_systematic        'Li (I O3)'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.4039
_cell_length_b                   5.8539
_cell_length_c                   5.2915
_cell_volume                     291.294
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Crettez_JSSCBI_1985_1170.cif
_cod_data_source_block           I1Li1O3
_cod_original_cell_volume        291.2944
_cod_original_formula_sum        'I1 Li1 O3'
_cod_database_code               1529780
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y+1/2,z+1/2
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
O1 O-2 0.1499 0.0231 -0.1842 1 0.0
I1 I+5 0.3203 0.0733 0 1 0.0
O2 O-2 0.4269 -0.1447 -0.1685 1 0.0
O3 O-2 0.3738 0.3147 -0.1891 1 0.0
Li1 Li+1 -0.0236 -0.0901 0.0086 1 0.0
