data_1526850
_publ_section_title
;
 Crystal modifications of beryllium dihalides Be Cl2, Be Br2 and Be I2
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1619
_journal_page_last               1624
_journal_volume                  45
_journal_year                    2000
_chemical_formula_sum            'Be Br2'
_chemical_name_systematic        'Be Br2'
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.569
_cell_length_b                   10.405
_cell_length_c                   5.543
_cell_volume                     321.192
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Troyanov_ZNOKAQ_2000_835.cif
_cod_data_source_block           Be1Br2
_cod_original_cell_volume        321.1916
_cod_chemical_formula_sum_orig   'Be1 Br2'
_cod_database_code               1526850
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z+1/2
-x,y,-z+1/2
-x,-y,-z
x,y,-z
-x,y,z-1/2
x,-y,z-1/2
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1
-x+1/2,y+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-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
Br1 Br-1 0.2142 0.11501 0 1 0.0
Be1 Be+2 0 0 0.25 1 0.0
