#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/71/2107173.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_2107173
loop_
_publ_author_name
'Schulz, H.'
_publ_section_title
;
 The structure of beta-Li I O3
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2285
_journal_page_last               2289
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'I Li O3'
_chemical_name_systematic        'Li (I O3)'
_space_group_IT_number           86
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.7329
_cell_length_b                   9.7329
_cell_length_c                   6.1566
_cell_volume                     583.211
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Schulz_ACBCAR_1973_1319.cif
_cod_data_source_block           I1Li1O3
_cod_original_cell_volume        583.2106
_cod_original_formula_sum        'I1 Li1 O3'
_cod_database_code               2107173
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x+1/2,z+1/2
-x+1/2,-y+1/2,z
y+1/2,-x,z+1/2
-x,-y,-z
y,-x-1/2,-z-1/2
x-1/2,y-1/2,-z
-y-1/2,x,-z-1/2
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+5 0.0343 0.7576 0.115 1 0.0
O3 O-2 0.847 0.552 0.172 1 0.0
O2 O-2 0.094 0.209 0.094 1 0.0
Li1 Li+1 0.426 0.236 0.426 1 0.0
O1 O-2 0.836 0.121 -0.05 1 0.0
