data_global
_chemical_name_mineral 'Terlinguaite'
loop_
_publ_author_name
'Aurivillius K'
'Folkmarson L'
_journal_name_full 'Acta Chemica Scandinavica'
_journal_volume 22 
_journal_year 1968
_journal_page_first 2529
_journal_page_last 2540
_publ_section_title
;
 The crystal structure of terlinguaite Hg4O2Cl2
;
_database_code_amcsd 0011911
_chemical_compound_source 'Terlingua, Texas, USA'
_chemical_formula_sum 'Hg2 O Cl'
_cell_length_a 19.515
_cell_length_b 5.915
_cell_length_c 9.478
_cell_angle_alpha 90
_cell_angle_beta 143.81
_cell_angle_gamma 90
_cell_volume 646.002
_exptl_crystal_density_diffrn      9.308
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-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   0.25000   0.25000   0.00000 ?
Hg2   0.00000   0.59100   0.25000 ?
Hg3   0.04900   0.19460   0.20160 ?
O   0.07900   0.17900   0.72200   0.00722
Cl   0.19460   0.29500   0.24400   0.01646
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 0.01480 0.01188 0.01634 -0.00069 0.02516 -0.00117
Hg2 0.01951 0.00904 0.02031 0.00000 0.03398 0.00000
Hg3 0.02691 0.01081 0.02618 0.00104 0.04639 -0.00235