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 = .0001 GPa
;
_database_code_amcsd 0019070
_chemical_compound_source 'Merelani Hills, Tanzania'
_chemical_formula_sum 'Si3 Al3 Ca2 O13 H'
_cell_length_a 16.2004
_cell_length_b 5.5529
_cell_length_c 10.0423
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 903.397
_exptl_crystal_density_diffrn      3.341
_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   0.41075   0.75000   0.28280   0.00670
Si2   0.08147   0.25000   0.10610   0.00700
Si3   0.16030   0.25000   0.43550   0.00560
Al12   0.24952   0.99710   0.18950   0.00660
Al3   0.10596   0.75000   0.30050   0.00730
Ca1   0.36666   0.25000   0.43750   0.01090
Ca2   0.45185   0.25000   0.11500   0.01040
O1   0.13050   0.99980   0.14650   0.00940
O2   0.10140   0.01320   0.43020   0.00870
O3   0.35910   0.99170   0.24520   0.00790
O4   0.21900   0.75000   0.30140   0.00770
O5   0.22770   0.25000   0.31220   0.00870
O6   0.27180   0.75000   0.06000   0.00830
O7   0.99100   0.25000   0.16470   0.01030
O8   0.99690   0.75000   0.29380   0.00950
O9   0.42020   0.75000   0.44290   0.01900
O-H10   0.26770   0.25000   0.07430   0.00990