data_global
_chemical_name_mineral 'Slawsonite'
loop_
_publ_author_name
'Griffen D T'
'Ribbe P H'
'Gibbs G V'
_journal_name_full 'American Mineralogist'
_journal_volume 62 
_journal_year 1977
_journal_page_first 31
_journal_page_last 35
_publ_section_title
;
 The structure of slawsonite, a strontium analog of paracelsian
;
_database_code_amcsd 0000553
_chemical_formula_sum '(Sr.87 Ca.13) (Si2 Al2) O8'
_cell_length_a 8.888
_cell_length_b 9.344
_cell_length_c 8.326
_cell_angle_alpha 90
_cell_angle_beta 90.33
_cell_angle_gamma 90
_cell_volume 691.458
_exptl_crystal_density_diffrn      3.070
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sr   0.89020   0.41220   0.25030   0.87000
Ca   0.89020   0.41220   0.25030   0.13000
Si1o   0.23210   0.92490   0.93110   0.50000
Al1o   0.23210   0.92490   0.93110   0.50000
Si1m   0.24050   0.91990   0.56050   0.50000
Al1m   0.24050   0.91990   0.56050   0.50000
Si2o   0.05950   0.20060   0.94400   0.50000
Al2o   0.05950   0.20060   0.94400   0.50000
Si2m   0.05410   0.19440   0.57060   0.50000
Al2m   0.05410   0.19440   0.57060   0.50000
O1o   0.19100   0.09340   0.01000   1.00000
O1m   0.18750   0.07400   0.49370   1.00000
O2o   0.11920   0.36580   0.94580   1.00000
O2m   0.12360   0.36990   0.55730   1.00000
O3o   0.92020   0.19190   0.06990   1.00000
O3m   0.89790   0.19230   0.43990   1.00000
O4   0.00920   0.15450   0.76620   1.00000
O5   0.31390   0.92520   0.74070   1.00000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Sr 0.01201 0.00885 0.01018 0.00000 0.00000 0.00039
Ca 0.01201 0.00885 0.01018 0.00000 0.00000 0.00039
Si1o 0.00360 0.00442 0.00421 0.00042 0.00000 0.00079
Al1o 0.00360 0.00442 0.00421 0.00042 0.00000 0.00079
Si1m 0.00240 0.00398 0.00386 0.00000 0.00075 0.00000
Al1m 0.00240 0.00398 0.00386 0.00000 0.00075 0.00000
Si2o 0.00320 0.00265 0.00351 -0.00084 0.00000 0.00039
Al2o 0.00320 0.00265 0.00351 -0.00084 0.00000 0.00039
Si2m 0.00360 0.00310 0.00351 -0.00042 0.00037 0.00000
Al2m 0.00360 0.00310 0.00351 -0.00042 0.00037 0.00000
O1o 0.00840 0.00663 0.00773 0.00295 0.00112 0.00000
O1m 0.01000 0.00442 0.00983 0.00337 0.00300 0.00197
O2o 0.00520 0.00310 0.00773 -0.00084 -0.00262 0.00118
O2m 0.00680 0.00531 0.00702 -0.00042 0.00412 -0.00079
O3o 0.00520 0.00708 0.00527 -0.00084 0.00112 -0.00079
O3m 0.00400 0.00708 0.01018 0.00000 0.00037 0.00158
O4 0.01681 0.01194 0.00457 -0.00505 0.00000 0.00000
O5 0.00480 0.01106 0.00597 -0.00252 0.00112 0.00079