data_1531031
_publ_section_title
;
 The Crystal Structure of Rhodonides. The Crystal Structure of Mercury
 Halogen Rhodonides
;
_journal_name_full               'Zhurnal Fizicheskoi Khimii'
_journal_page_first              586
_journal_page_last               591
_journal_volume                  26
_journal_year                    1952
_chemical_formula_sum            'Br Hg S'
_chemical_name_systematic        'Hg Br S C N'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.33
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.23
_cell_length_b                   4.27
_cell_length_c                   8.72
_cell_volume                     231.908
_citation_journal_id_ASTM        ZFKHA9
_cod_data_source_file            Zvonkova_ZFKHA9_1952_1684.cif
_cod_data_source_block           Br1Hg1S1
_cod_original_cell_volume        231.9078
_cod_chemical_formula_sum_orig   'Br1 Hg1 S1'
_cod_database_code               1531031
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-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
Hg1 Hg+2 0.049 0.25 0.202 1 0.0
Br1 Br-1 0.737 0.25 0.027 1 0.0
S1 S-2 0.351 0.25 0.364 1 0.0
