data_global
_chemical_name_mineral 'Damaraite'
loop_
_publ_author_name
'Keller P'
'Lissner F'
'Schleid T'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 2001 
_journal_year 2001
_journal_page_first 326
_journal_page_last 336
_publ_section_title
;
 Damaraite, Pb3O2(OH)Cl: crystal structure and new chemical formula
;
_database_code_amcsd 0014912
_chemical_compound_source 'Kombat mine, Namibia'
_chemical_formula_sum 'Pb3 O3 Cl H'
_cell_length_a 5.813
_cell_length_b 6.921
_cell_length_c 15.192
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 611.201
_exptl_crystal_density_diffrn      7.673
_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   0.41368   0.30349   0.01940
Pb2   0.50000   0.20455   0.09124   0.01560
Pb3   0.50000   0.29299   0.53775   0.01580
Pb4   0.00000   0.46542   0.66357   0.01530
Pb5   0.00000   0.37603   0.93753   0.01690
Pb6   0.00000   0.07363   0.27427   0.01530
O1   0.24960   0.45710   0.04250   0.01800
O2   0.25200   0.28500   0.21230   0.02500
O-h3   0.50000   0.33280   0.69140   0.02530
O-h4   0.00000   0.29510   0.39080   0.04910
Cl1   0.00000   0.02950   0.56070   0.03060
Cl2   0.50000   0.05410   0.86410   0.03660
H1   0.50000   0.21000   0.72900   0.02000
H2   0.00000   0.17700   0.44200   0.02000
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 0.01750 0.03020 0.01040 -0.00410 0.00000 0.00000
Pb2 0.01870 0.01250 0.01550 -0.00130 0.00000 0.00000
Pb3 0.01810 0.01260 0.01680 -0.00150 0.00000 0.00000
Pb4 0.01790 0.01500 0.01310 0.00190 0.00000 0.00000
Pb5 0.01760 0.02140 0.01160 -0.00360 0.00000 0.00000
Pb6 0.01840 0.01250 0.01500 0.00220 0.00000 0.00000
O1 0.02050 0.01260 0.02080 -0.00450 0.00430 -0.00110
O2 0.02850 0.03070 0.01590 0.01010 -0.00490 -0.00120
O-h3 0.04720 0.01190 0.01660 0.00090 0.00000 0.00000
O-h4 0.06740 0.05280 0.02690 -0.02250 0.00000 0.00000
Cl1 0.02850 0.03920 0.02400 0.00490 0.00000 0.00000
Cl2 0.03650 0.04310 0.03010 0.00550 0.00000 0.00000