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 = 2.945 GPa
;
_database_code_amcsd 0019074
_chemical_compound_source 'Merelani Hills, Tanzania'
_chemical_formula_sum 'Si3 Al3 Ca2 O13 H'
_cell_length_a 16.1353
_cell_length_b 5.5062
_cell_length_c 9.9432
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 883.396
_exptl_crystal_density_diffrn      3.416
_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   0.41048   0.75000   0.28080   0.01030
Si2   0.08073   0.25000   0.10570   0.01010
Si3   0.16006   0.25000   0.43540   0.00960
Al12   0.24930   0.99760   0.18880   0.00980
Al3   0.10561   0.75000   0.29940   0.01080
Ca1   0.36599   0.25000   0.43650   0.01400
Ca2   0.45335   0.25000   0.11270   0.01220
O1   0.12910   0.99510   0.14750   0.01160
O2   0.10150   0.01470   0.43110   0.01310
O3   0.35910   0.99120   0.24280   0.01150
O4   0.21910   0.75000   0.30290   0.01020
O5   0.22750   0.25000   0.31150   0.00970
O6   0.27010   0.75000   0.05840   0.01030
O7   0.99030   0.25000   0.16620   0.01410
O8   0.99620   0.75000   0.29880   0.01350
O9   0.42150   0.75000   0.44290   0.02370
O-H10   0.26440   0.25000   0.07100   0.01420