data_9011213
_publ_section_title
;HgBi2S4: Crystal structure and relationship with the pavonite homologous
 series Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1300
_journal_page_last               1304
_journal_paper_doi               10.1107/S0567740880005973
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'Bi2 Hg S4'
_chemical_name_mineral           Grumiplucite
_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                 118.27
_cell_angle_gamma                90
_cell_length_a                   14.17
_cell_length_b                   4.06
_cell_length_c                   13.99
_cell_volume                     708.850
_exptl_crystal_density_diffrn    6.998
_[local]_cod_chemical_formula_sum_orig 'Hg Bi2 S4'
_cod_database_code               9011213
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Hg1 0.00000 0.00000 0.00000 0.02913
Hg2 0.00000 0.00000 0.50000 0.03040
Bi1 0.22600 0.00000 0.36790 0.02280
Bi2 0.34990 0.00000 0.13790 0.02153
S1 0.18590 0.50000 0.06480 0.01646
S2 0.49910 0.50000 0.17010 0.01013
S3 0.12440 0.50000 0.42800 0.01267
S4 0.34320 0.50000 0.32430 0.03040
