data_global
_chemical_name_mineral 'Radtkeite'
loop_
_publ_author_name
'Pervukhina N V'
'Vasil'ev V I'
'Naumov D Y'
'Borisov S V'
'Magarill S A'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 42 
_journal_year 2004
_journal_page_first 87
_journal_page_last 94
_publ_section_title
;
 The crystal structure of synthetic radtkeite, Hg3S2ClI
;
_database_code_amcsd 0005926
_chemical_formula_sum 'Hg3 S2 I Cl'
_cell_length_a 16.827
_cell_length_b 9.117
_cell_length_c 13.165
_cell_angle_alpha 90
_cell_angle_beta 130.17
_cell_angle_gamma 90
_cell_volume 1543.295
_exptl_crystal_density_diffrn      7.129
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_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
Hg1   0.00000   0.22700  -0.50000
Hg2   0.15100   0.50000  -0.25350
Hg3  -0.25000   0.25000  -0.50000
Hg4  -0.14050   0.50000  -0.23420
Hg5   0.02480   0.21600  -0.20480
S1  -0.14750   0.23310  -0.26880
S2   0.12340   0.23150  -0.27820
I1  -0.12450   0.50000   0.01260
I2  -0.39360   0.00000  -0.52690
Cl1   0.11260   0.00000  -0.01010
Cl2   0.12990   0.00000  -0.51620
loop_
_atom_site_aniso_label
_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
Hg1 0.02700 0.02400 0.02600 0.00000 0.01700 0.00000
Hg2 0.03300 0.03100 0.03000 0.00000 0.02000 0.00000
Hg3 0.02800 0.03100 0.02900 -0.00100 0.01900 -0.00100
Hg4 0.04500 0.04000 0.04500 0.00000 0.03100 0.00000
Hg5 0.04500 0.04700 0.04600 0.00000 0.02900 0.00000
S1 0.02100 0.01800 0.03000 0.00300 0.01600 0.00300
S2 0.02400 0.03200 0.02900 0.00400 0.01600 -0.00100
I1 0.03300 0.03500 0.03300 0.00000 0.02000 0.00000
I2 0.04000 0.03200 0.04100 0.00000 0.02700 0.00000
Cl1 0.04200 0.02600 0.03000 0.00000 0.02800 0.00000
Cl2 0.03700 0.04200 0.04000 0.00000 0.03100 0.00000