data_global
_chemical_name_mineral 'Kanatzidisite'
loop_
_publ_author_name
'Bindi L'
'Zhou X'
'Deng T'
'Li Z'
'Wolverton C'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 145 
_journal_year 2023
_journal_page_first 18227
_journal_page_last 18232
_publ_section_title
;
 Kanatzidisite: A natural compound with distinctive van der Waals
 heterolayered architecture
;
_database_code_amcsd 0021227
_chemical_compound_source 'Nagyborzsony deposit, Also-Rozsa, Hungary'
_chemical_formula_sum 'Sb.03 Bi.025 S.146 Te.056'
_cell_length_a 4.0021
_cell_length_b 3.9963
_cell_length_c 21.1009
_cell_angle_alpha 90
_cell_angle_beta 95.392
_cell_angle_gamma 90
_cell_volume 335.986
_exptl_crystal_density_diffrn      0.206
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sb   0.16194   0.25000   0.83258   0.03023
Bi   0.35778   0.25000   0.34482   0.02521
S1   0.73650   0.25000   0.06033   0.05214
S2   0.34810   0.25000   0.20233   0.04814
S3   0.07470   0.25000   0.69512   0.04522
Te   0.29649   0.25000   0.50009   0.05632
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
Sb 0.03064 0.03067 0.02938 0.00000 0.00290 0.00000
Bi 0.02558 0.02553 0.02455 0.00000 0.00241 0.00000
S1 0.05260 0.05180 0.05200 0.00000 0.00480 0.00000
S2 0.04790 0.04920 0.04730 0.00000 0.00480 0.00000
S3 0.04560 0.04590 0.04420 0.00000 0.00440 0.00000
Te 0.05673 0.05667 0.05557 0.00000 0.00534 0.00000