data_global
_chemical_name_mineral 'Duftite'
loop_
_publ_author_name
'Kharisun'
'Taylor M R'
'Bevan D J M'
'Pring A'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 62 
_journal_year 1998
_journal_page_first 121
_journal_page_last 130
_publ_section_title
;
 The crystal chemistry of duftite, PbCuAsO4(OH) and the beta-duftite problem
 Note: sample is synthetic
;
_database_code_amcsd 0014532
_chemical_formula_sum 'Pb Cu As O5 H'
_cell_length_a 7.768
_cell_length_b 9.211
_cell_length_c 5.999
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 429.235
_exptl_crystal_density_diffrn      6.603
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-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
Pb   0.37640   0.16680   0.47930 ?
Cu   0.25560   0.49630   0.75370 ?
As   0.36860  -0.19340   0.50760 ?
O2   0.14200   0.28500   0.76500   0.01700
O3   0.12600   0.30500   0.24100   0.01200
O4   0.54100  -0.08500   0.49400   0.01200
O5   0.19700  -0.08500   0.53800   0.02000
O-H1   0.38500   0.43800   0.49700   0.00800
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
Pb 0.01020 0.00910 0.01420 0.00180 -0.00020 0.00020
Cu 0.01400 0.00710 0.00200 -0.00060 -0.00100 -0.00320
As 0.00780 0.00470 0.00700 -0.00040 0.00200 -0.00030