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 = 5.533 GPa
;
_database_code_amcsd 0019076
_chemical_compound_source 'Merelani Hills, Tanzania'
_chemical_formula_sum 'Si3 Al3 Ca2 O13 H'
_cell_length_a 16.0796
_cell_length_b 5.4721
_cell_length_c 9.8690
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 868.365
_exptl_crystal_density_diffrn      3.475
_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   0.41022   0.75000   0.27930   0.01150
Si2   0.08008   0.25000   0.10590   0.01010
Si3   0.16003   0.25000   0.43500   0.01050
Al12   0.24889   0.99860   0.18780   0.01060
Al3   0.10544   0.75000   0.29890   0.01090
Ca1   0.36554   0.25000   0.43590   0.01370
Ca2   0.45466   0.25000   0.11090   0.01170
O1   0.12840   0.99290   0.14690   0.01110
O2   0.10130   0.01230   0.43130   0.01320
O3   0.35790   0.99450   0.24060   0.01230
O4   0.21890   0.75000   0.30200   0.00840
O5   0.22730   0.25000   0.31090   0.00840
O6   0.26930   0.75000   0.05880   0.01050
O7   0.98920   0.25000   0.16760   0.01710
O8   0.99610   0.75000   0.30180   0.01260
O9   0.42010   0.75000   0.44180   0.02700
O-H10   0.26200   0.25000   0.06670   0.01410