data_global
_chemical_name_mineral 'Sanidine-high'
loop_
_publ_author_name
'Scambos T A'
'Smyth J R'
'McCormick T C'
_journal_name_full 'American Mineralogist'
_journal_volume 72 
_journal_year 1987
_journal_page_first 973
_journal_page_last 978
_publ_section_title
;
 Crystal-structure refinement of high sanidine from the upper mantle
;
_database_code_amcsd 0001125
_chemical_formula_sum 'K (Al Si3) O8'
_cell_length_a 8.595
_cell_length_b 13.028
_cell_length_c 7.175
_cell_angle_alpha 90
_cell_angle_beta 115.94
_cell_angle_gamma 90
_cell_volume 722.482
_exptl_crystal_density_diffrn      2.559
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K   0.28660   0.00000   0.13800   1.00000
Al1   0.00991   0.18560   0.22381   0.26600
Si1   0.00991   0.18560   0.22381   0.73400
Al2   0.71075   0.11813   0.34438   0.23400
Si2   0.71075   0.11813   0.34438   0.76600
OA1   0.00000   0.14700   0.00000   1.00000
OA2   0.64000   0.00000   0.28490   1.00000
OB   0.83020   0.14760   0.22690   1.00000
OC   0.03510   0.31050   0.25690   1.00000
OD   0.17890   0.12650   0.40380   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
K 0.02058 0.03173 0.03164 0.00000 0.00960 0.00000
Al1 0.01338 0.00963 0.01139 -0.00194 0.00662 -0.00081
Si1 0.01338 0.00963 0.01139 -0.00194 0.00662 -0.00081
Al2 0.01316 0.00636 0.01308 -0.00051 0.00594 0.00000
Si2 0.01316 0.00636 0.01308 -0.00051 0.00594 0.00000
OA1 0.03057 0.01496 0.01856 0.00000 0.01187 0.00000
OA2 0.02270 0.01058 0.02468 0.00000 0.00556 0.00000
OB 0.02512 0.02691 0.02552 -0.00357 0.01440 0.00000
OC 0.02149 0.01341 0.02278 -0.00102 0.00884 -0.00213
OD 0.02361 0.01651 0.01729 0.00153 0.00581 0.00043