H:
K:
L:
Thickness of slab parallel to HKL plane:
0 Å
10 Å
CIF file
#(C) 2022 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure. All rights reserved. data_201695-ICSD _database_code_ICSD 201695 _audit_creation_date 1986-04-14 _audit_update_record 2015-08-01 _chemical_name_common Bromine _chemical_formula_structural Br2 _chemical_formula_sum Br2 _chemical_name_structure_type I2 _exptl_crystal_density_diffrn 3.9 _diffrn_ambient_temperature 250. _citation_title ; The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine ; loop_ _citation_id _citation_journal_full _citation_year _citation_journal_volume _citation_page_first _citation_page_last _citation_journal_id_ASTM primary 'Molecular Physics' 1984 53 929 939 MOPHAM loop_ _citation_author_citation_id _citation_author_name primary 'Powell, B.M.' primary 'Heal, K.M.' primary 'Torrie, B.H.' _cell_length_a 6.7265(6) _cell_length_b 4.6451(4) _cell_length_c 8.7023(7) _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 90. _cell_volume 271.91 _cell_formula_units_Z 4 _space_group_name_H-M_alt 'C m c a' _space_group_IT_number 64 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 '-x, -y+1/2, z+1/2' 2 '-x, y+1/2, -z+1/2' 3 '-x, y, z' 4 '-x, -y, -z' 5 'x, y+1/2, -z+1/2' 6 'x, -y+1/2, z+1/2' 7 'x, -y, -z' 8 'x, y, z' 9 '-x+1/2, -y, z+1/2' 10 '-x+1/2, y, -z+1/2' 11 '-x+1/2, y+1/2, z' 12 '-x+1/2, -y+1/2, -z' 13 'x+1/2, y, -z+1/2' 14 'x+1/2, -y, z+1/2' 15 'x+1/2, -y+1/2, -z' 16 'x+1/2, y+1/2, z' loop_ _atom_type_symbol _atom_type_oxidation_number Br0+ 0 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_B_iso_or_equiv _atom_site_occupancy Br1 Br0+ 8 f 0 0.1349 0.1099 . 1. loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Br1 Br0+ 0.0442(12) 0.0346(11) 0.0341(12) 0 0 -.0043(15) #End of TTdata_201695-ICSD