data_global
_amcsd_formula_title 'Pb7O4(OH)4Cl2'
loop_
_publ_author_name
'Krivovichev S V'
'Burns P C'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 14 
_journal_year 2002
_journal_page_first 135
_journal_page_last 139
_publ_section_title
;
 Crystal chemistry of lead oxide chlorides.
 II. Crystal structure of Pb7O4(OH)4Cl2
;
_database_code_amcsd 0006927
_chemical_formula_sum 'Pb7 Cl2 O8 H4'
_cell_length_a 5.791
_cell_length_b 12.998
_cell_length_c 19.330
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90.089
_cell_volume 1454.995
_exptl_crystal_density_diffrn      7.548
_symmetry_space_group_name_H-M 'C 1 1 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  '-x,1/2-y,1/2+z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb1   0.86810   0.23030   0.51040   0.01570
Pb2   0.36900   0.03560   0.51120   0.01600
Pb3   0.86710   0.02440   0.38340   0.01940
Pb4   0.36840   0.23190   0.38070   0.02030
Pb5   0.36890   0.21600   0.65280   0.01630
Pb6   0.86770   0.05090   0.65360   0.01830
Pb7   0.86840   0.38070   0.70040   0.02140
Cl1   0.37900   0.37500   0.52400   0.04220
Cl2   0.85500   0.38800   0.36600   0.04740
O1   0.11400   0.13400   0.58900   0.00420
O2   0.62000   0.12800   0.58700   0.02840
O3   0.61000   0.13300   0.44200   0.00380
O4   0.13000   0.13000   0.43900   0.01820
O-H5   0.12300   0.38300   0.79100   0.02770
O-H6   0.62600   0.37300   0.78800   0.03360
O-H7   0.35700   0.06800   0.71800   0.01620
O-H8   0.86000   0.18900   0.72700   0.09630
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
Pb1 0.01190 0.01720 0.01800 -0.00210 0.00320 -0.00200
Pb2 0.01320 0.01730 0.01770 0.00070 0.00120 -0.00050
Pb3 0.01820 0.02080 0.01910 -0.00340 0.00080 -0.00030
Pb4 0.01770 0.02110 0.02200 -0.00160 0.00510 0.00270
Pb5 0.01680 0.01700 0.01510 0.00160 0.00270 0.00490
Pb6 0.01220 0.01630 0.02630 0.00040 0.00270 0.00180
Pb7 0.01920 0.02790 0.01700 -0.00070 0.00290 -0.00140
Cl1 0.02790 0.06320 0.03540 -0.00600 0.01040 0.04020
Cl2 0.05770 0.04800 0.03630 -0.02470 0.01320 -0.00150