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 = 1.144 GPa
;
_database_code_amcsd 0019073
_chemical_compound_source 'Merelani Hills, Tanzania'
_chemical_formula_sum 'Si3 Al3 Ca2 O13 H'
_cell_length_a 16.1760
_cell_length_b 5.5342
_cell_length_c 10.0007
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 895.275
_exptl_crystal_density_diffrn      3.371
_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   0.41099   0.75000   0.28210   0.00600
Si2   0.08098   0.25000   0.10590   0.00650
Si3   0.16030   0.25000   0.43490   0.00610
Al12   0.24938   0.99780   0.18950   0.00590
Al3   0.10568   0.75000   0.30000   0.00680
Ca1   0.36624   0.25000   0.43700   0.00990
Ca2   0.45266   0.25000   0.11390   0.00840
O1   0.13020   0.99690   0.14650   0.00890
O2   0.10130   0.01390   0.42970   0.00970
O3   0.35880   0.99130   0.24430   0.00680
O4   0.21830   0.75000   0.30110   0.00830
O5   0.22740   0.25000   0.31150   0.00570
O6   0.27140   0.75000   0.05960   0.00640
O7   0.99090   0.25000   0.16530   0.00910
O8   0.99670   0.75000   0.29650   0.00940
O9   0.42000   0.75000   0.44460   0.02050
O-H10   0.26680   0.25000   0.07250   0.01010