data_global
_amcsd_formula_title 'Pb2Al3Si3O12(OH)'
loop_
_publ_author_name
'Dorsam G'
'Liebscher A'
'Wunder B'
'Franz G'
'Gottschalk M'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_volume 188 
_journal_year 2011
_journal_page_first 99
_journal_page_last 110
_publ_section_title
;
 Synthesis of Pb-zoisite and Pb-lawsonite
;
_database_code_amcsd 0018957
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Pb2 Al3 Si3 O13 H'
_cell_length_a 16.4529
_cell_length_b 5.6432
_cell_length_c 10.3631
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 962.183
_exptl_crystal_density_diffrn      5.444
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pbl   0.12520   0.25000   0.56280   0.00710
Pb2   0.03710   0.25000   0.88240   0.01050
Al2   0.38490   0.75000   0.70230   0.00500
Al1   0.24260  -0.00480   0.81150   0.00300
Si1  -0.09110   0.25000   0.60670   0.00500
Si2   0.08140   0.75000   0.71160   0.00300
Si3   0.33230   0.25000   0.57480   0.00300
Ol  -0.13990   0.49210   0.64850   0.00700
O2   0.38930   0.48800   0.58650   0.00500
O3   0.13210  -0.01600   0.75880   0.00500
O4   0.27330   0.75000   0.70730   0.00500
O5   0.26100   0.25000   0.68760   0.00300
O6   0.27940   0.25000   0.43940   0.00200
O7  -0.00190   0.25000   0.66730   0.00800
O8  -0.00630   0.75000   0.77140   0.00900
O9   0.08180   0.75000   0.55110   0.00700
O-H10   0.22200   0.25000   0.91900   0.01200