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 = 6.511 GPa
;
_database_code_amcsd 0019077
_chemical_compound_source 'Merelani Hills, Tanzania'
_chemical_formula_sum 'Si3 Al3 Ca2 O13 H'
_cell_length_a 16.0539
_cell_length_b 5.4609
_cell_length_c 9.8437
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 862.985
_exptl_crystal_density_diffrn      3.497
_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   0.27960   0.01080
Si2   0.08005   0.25000   0.10580   0.01190
Si3   0.15990   0.25000   0.43560   0.00960
Al12   0.24902   0.99890   0.18730   0.01090
Al3   0.10533   0.75000   0.29930   0.01130
Ca1   0.36544   0.25000   0.43590   0.01410
Ca2   0.45481   0.25000   0.11030   0.01280
O1   0.12800   0.99360   0.14720   0.01220
O2   0.10090   0.01280   0.43210   0.01280
O3   0.35840   0.99400   0.24110   0.01130
O4   0.21940   0.75000   0.30330   0.01550
O5   0.22670   0.25000   0.31100   0.00720
O6   0.27020   0.75000   0.05750   0.01210
O7   0.98930   0.25000   0.16660   0.01850
O8   0.99530   0.75000   0.30240   0.01420
O9   0.42070   0.75000   0.44310   0.02800
O-H10   0.26210   0.25000   0.06600   0.01250