data_1527188
_publ_section_title
;
 Die Struktur des Ir Br3 und ueber die Ursachen der
 Fehlordnungserscheinungen bei den in Schichtenstrukturen
 kristallisierenden Edelmetalltrihalogeniden
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              347
_journal_page_last               354
_journal_volume                  15
_journal_year                    1968
_chemical_formula_sum            'Br3 Ir'
_chemical_name_systematic        'Ir Br3'
_space_group_IT_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                 108.7
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.3
_cell_length_b                   10.98
_cell_length_c                   6.34
_cell_volume                     415.412
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Brodersen_JCOMAH_1968_1000.cif
_cod_data_source_block           Br3Ir1
_cod_original_cell_volume        415.4116
_cod_chemical_formula_sum_orig   'Br3 Ir1'
_cod_database_code               1527188
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
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
Br2 Br-1 0.247 0.172 0.772 1 0.0
Ir1 Ir+3 0 0.167 0 1 0.0
Br1 Br-1 0.233 0 0.226 1 0.0
