data_global
_chemical_name_mineral 'Damaraite'
loop_
_publ_author_name
'Krivovichev S V'
'Burns P C'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 13 
_journal_year 2001
_journal_page_first 801
_journal_page_last 809
_publ_section_title
;
 Crystal chemistry of lead oxide chlorides. I. Crystal structures of
 synthetic mendipite, Pb3O2Cl2, and synthetic damaraite, Pb3O2(OH)Cl
;
_database_code_amcsd 0006899
_chemical_formula_sum 'Pb3 O3 Cl H'
_cell_length_a 5.8052
_cell_length_b 6.9025
_cell_length_c 15.141
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 606.706
_exptl_crystal_density_diffrn      7.730
_symmetry_space_group_name_H-M 'P m c 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,y,z'
  '-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   0.50000   0.70750   0.68030   0.01900
Pb2   0.50000   0.20460   0.62650   0.01800
Pb3   0.50000   0.58660   0.91440   0.02200
Pb4   0.00000   0.53480   0.55420   0.01700
Pb5   0.00000   0.37620   0.78040   0.01800
Pb6   0.00000   0.07370   0.44360   0.01800
O1   0.25200   0.71900   0.00180   0.01700
O2   0.24800   0.46000   0.67220   0.02100
O-H3   0.00000   0.70700   0.82600   0.03000
O-H4   0.50000   0.66400   0.52200   0.03900
Cl1   0.00000  -0.02800   0.65310   0.02600
Cl2   0.50000  -0.05100   0.35160   0.04200
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 0.02000 0.01600 0.02100 0.00000 0.00000 -0.00200
Pb2 0.02000 0.01500 0.01900 0.00000 0.00000 0.00200
Pb3 0.01900 0.03300 0.01400 0.00000 0.00000 -0.00400
Pb4 0.01800 0.01700 0.01500 0.00000 0.00000 0.00100
Pb5 0.01900 0.02300 0.01400 0.00000 0.00000 0.00300
Pb6 0.02000 0.01600 0.01900 0.00000 0.00000 -0.00100
O1 0.01500 0.02300 0.01300 0.00100 -0.00200 0.00400
O2 0.01900 0.02100 0.02300 -0.00400 -0.00700 0.00400
O-H3 0.02800 0.03600 0.02600 0.00000 0.00000 -0.01400
O-H4 0.04500 0.02600 0.04600 0.00000 0.00000 -0.01700
Cl1 0.02100 0.03300 0.02400 0.00000 0.00000 0.00100
Cl2 0.05600 0.04100 0.03000 0.00000 0.00000 0.00600