data_global
_chemical_name_mineral 'Zoisite'
loop_
_publ_author_name
'Dollase W A'
_journal_name_full 'American Mineralogist'
_journal_volume 53
_journal_year 1968
_journal_page_first 1882
_journal_page_last 1898
_publ_section_title
;
 Refinement and comparison of the structures of zoisite and clinozoisite
;
_database_code_amcsd 184
_chemical_formula_sum 'Ca2 Si3 Al3 H O13'
_cell_length_a 16.212
_cell_length_b 5.559
_cell_length_c 10.036
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 904.47
_exptl_crystal_density_diffrn  3.337
_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
Ca1   0.3667  0.25  0.4376  0.00912
Ca2   0.4518  0.25  0.115  0.01077
Si1   0.0816  0.25  0.1064  0.0038
Si2   0.4104  0.75  0.2821  0.00507
Si3   0.1601  0.25  0.4356  0.0076
Al12   0.2496  0.9971  0.1899  0.00671
Al3   0.1054  0.75  0.3006  0.0038
H   0.26  0.25  0.95  0.00633
O1   0.1317  0.0  0.1451  0.00507
O2   0.1012  0.015  0.43  0.00633
O3   0.3584  0.99  0.2452  0.00507
O4   0.2178  0.75  0.301  0.00507
O5   0.2273  0.25  0.312  0.00253
O6   0.2713  0.75  0.06  0.0038
O7   0.9905  0.25  0.164  0.00507
O8   0.9954  0.75  0.295  0.0076
O9   0.4209  0.75  0.443  0.00887
O10   0.268  0.25  0.074  0.00887