data_global
_chemical_name_mineral 'Zoisite'
loop_
_publ_author_name
'Alvaro M'
'Angel R J'
'Camara F'
_journal_name_full 'American Mineralogist'
_journal_volume 97 
_journal_year 2012
_journal_page_first 1165
_journal_page_last 1176
_publ_section_title
;
 High-pressure behavior of zoisite
 Note: P = 7.766 GPa
;
_database_code_amcsd 0019071
_chemical_compound_source 'Merelani Hills, Tanzania'
_chemical_formula_sum 'Si3 Al3 Ca2 O13 H'
_cell_length_a 16.0271
_cell_length_b 5.4473
_cell_length_c 9.8119
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 856.622
_exptl_crystal_density_diffrn      3.523
_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
Si1   0.41043   0.75000   0.27880   0.01140
Si2   0.07990   0.25000   0.10480   0.01080
Si3   0.16003   0.25000   0.43530   0.01140
Al12   0.24854   0.99850   0.18650   0.01120
Al3   0.10530   0.75000   0.29990   0.01010
Ca1   0.36508   0.25000   0.43530   0.01470
Ca2   0.45543   0.25000   0.10940   0.01110
O1   0.12780   0.99330   0.14660   0.01370
O2   0.10150   0.01160   0.43280   0.01480
O3   0.35860   0.99580   0.23900   0.01440
O4   0.21910   0.75000   0.30380   0.00950
O5   0.22750   0.25000   0.31130   0.01110
O6   0.26900   0.75000   0.05760   0.01060
O7   0.98990   0.25000   0.17120   0.01770
O8   0.99470   0.75000   0.30500   0.01640
O9   0.42040   0.75000   0.44200   0.03100
O-H10   0.26050   0.25000   0.06460   0.01120