data_1531432
_publ_section_title
;
 High-pressure structure of Li2 C O3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              13
_journal_page_last               19
_journal_volume                  173
_journal_year                    2003
_chemical_formula_sum            'C Li2 O3'
_chemical_name_systematic        'Li2 (C O3)'
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.4568
_cell_length_b                   4.4568
_cell_length_c                   5.1254
_cell_volume                     88.167
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Grzechnik_JSSCBI_2003_1572.cif
_cod_data_source_block           C1Li2O3
_cod_original_cell_volume        88.16672
_cod_chemical_formula_sum_orig   'C1 Li2 O3'
_cod_database_code               1531432
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z
x-y,-y,-z+1/2
x,x-y,-z
y,x,-z+1/2
-x+y,y,-z
-x,-x+y,-z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z
-x+y,y,z-1/2
-x,-x+y,z
-y,-x,z-1/2
x-y,-y,z
x,x-y,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
C1 C+4 0 0 0.25 1 0.0
O1 O-2 0.2911 0 0.25 1 0.0
Li1 Li+1 0.3333 0.6667 0 1 0.0
