data_global
_chemical_name_mineral 'Blixite'
loop_
_publ_author_name
'Krivovichev S V'
'Burns P C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 44 
_journal_year 2006
_journal_page_first 515
_journal_page_last 522
_publ_section_title
;
 The crystal structure of Pb8O5(OH)2Cl4, a synthetic analogue of blixite?
;
_database_code_amcsd 0006092
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Pb8 O7 Cl4 H2'
_cell_length_a 26.069
_cell_length_b 5.8354
_cell_length_c 22.736
_cell_angle_alpha 90
_cell_angle_beta 102.612
_cell_angle_gamma 90
_cell_volume 3375.216
_exptl_crystal_density_diffrn      7.531
_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
Pb1   0.17921   0.93970   0.17404   0.01780
Pb2   0.07084   0.55540   0.14602   0.01730
Pb3   0.17943   0.55640   0.04021   0.01560
Pb4   0.07085   0.94200   0.01418   0.01600
Pb5   0.32463   0.02470   0.19823   0.01480
Pb6   0.42678   0.47200   0.22380   0.01420
Pb7   0.32465   0.52370   0.08871   0.01330
Pb8   0.42675   0.96870   0.11444   0.01390
O1   0.12220   0.75260   0.09500   0.01000
O2   0.12310   0.75390   0.22320   0.01700
O3   0.12530   0.75310  -0.03440   0.00500
O4   0.37520   0.74240   0.16630   0.01100
O5   0.37520   0.25060   0.14890   0.00900
O-H6   0.13710   0.20850   0.01430   0.07100
O-H7   0.13400   0.26410   0.17610   0.07500
Cl1   0.00000   0.50000   0.00000   0.03700
Cl2   0.50000   0.00170   0.25000   0.02800
Cl3   0.25500   0.48960   0.18750   0.02500
Cl4   0.24430   0.49560  -0.06510   0.02800
Cl5   0.49490   0.50390   0.12430   0.02400
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 0.01700 0.02460 0.01250 -0.00600 0.00400 -0.00020
Pb2 0.01900 0.02000 0.01360 -0.00540 0.00470 -0.00100
Pb3 0.01400 0.01750 0.01500 0.00520 0.00250 0.00380
Pb4 0.01400 0.01960 0.01510 0.00610 0.00360 -0.00190
Pb5 0.01500 0.01700 0.01420 -0.00190 0.00680 -0.00350
Pb6 0.01300 0.01710 0.01180 -0.00070 0.00160 0.00440
Pb7 0.01200 0.00840 0.01880 -0.00260 0.00100 0.00090
Pb8 0.01300 0.00910 0.02060 -0.00280 0.00490 -0.00120
Cl1 0.03400 0.04200 0.03500 -0.03300 0.00800 -0.01700
Cl2 0.04500 0.01600 0.02400 0.00000 0.01100 0.00000
Cl3 0.03300 0.02300 0.02200 -0.00800 0.01000 -0.00400
Cl4 0.03100 0.02500 0.02900 -0.01100 0.00600 -0.00500
Cl5 0.02400 0.02900 0.02000 -0.00100 0.00500 -0.00100