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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009413.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009413
_chemical_name '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
 Locality: 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
_symmetry_space_group_name_H-M 'P m c 21'
loop_
_symmetry_equiv_pos_as_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_Uiso_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