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 = 5.145 GPa
;
_database_code_amcsd 0019072
_chemical_compound_source 'Merelani Hills, Tanzania'
_chemical_formula_sum 'Si3 Al3 Ca2 O13 H'
_cell_length_a 16.0845
_cell_length_b 5.477
_cell_length_c 9.8785
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 870.245
_exptl_crystal_density_diffrn      3.468
_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   0.41005   0.75000   0.27940   0.01130
Si2   0.08054   0.25000   0.10540   0.00970
Si3   0.16001   0.25000   0.43500   0.00950
Al12   0.24907   0.99830   0.18750   0.01000
Al3   0.10516   0.75000   0.30000   0.00910
Ca1   0.36545   0.25000   0.43630   0.01370
Ca2   0.45426   0.25000   0.11130   0.01120
O1   0.12800   0.99310   0.14780   0.01310
O2   0.10120   0.01400   0.43200   0.01480
O3   0.35880   0.99480   0.24090   0.01370
O4   0.21980   0.75000   0.30360   0.00930
O5   0.22770   0.25000   0.31190   0.01000
O6   0.27080   0.75000   0.05790   0.00770
O7   0.99050   0.25000   0.16830   0.01780
O8   0.99550   0.75000   0.30130   0.01170
O9   0.42080   0.75000   0.44240   0.02800
O-H10   0.26130   0.25000   0.06660   0.01010