data_global
_chemical_name_mineral 'Sanidine'
loop_
_publ_author_name
'Kimata M'
'Shimizu M'
'Saito S'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 8 
_journal_year 1996
_journal_page_first 15
_journal_page_last 24
_publ_section_title
;
 High-temperature crystal structure of sanidine
 Part II. The crystal structure of sanidine at 935 C
 Sample: T = 935 C, feldspar
;
_database_code_amcsd 0006611
_chemical_formula_sum 'K.789 Na.16 Ba.014 Fe.003 (Al Si3) O8'
_cell_length_a 8.677
_cell_length_b 13.016
_cell_length_c 7.184
_cell_angle_alpha 90
_cell_angle_beta 115.73
_cell_angle_gamma 90
_cell_volume 730.913
_exptl_crystal_density_diffrn      2.507
_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
_atom_site_U_iso_or_equiv
K   0.29050   0.00000   0.14080   0.78900   0.10688
Na   0.29050   0.00000   0.14080   0.16000   0.10688
Ba   0.29050   0.00000   0.14080   0.01400   0.10688
Fe   0.29050   0.00000   0.14080   0.00300   0.10688
AlT1   0.01040   0.18540   0.22440   0.28000   0.03221
SiT1   0.01040   0.18540   0.22440   0.72000   0.03221
AlT2   0.71250   0.11830   0.34630   0.22000   0.03090
SiT2   0.71250   0.11830   0.34630   0.78000   0.03090
OA1   0.00000   0.14780   0.00000   1.00000   0.05614
OA2   0.63980   0.00000   0.28550   1.00000   0.05227
OB   0.83070   0.14830   0.22940   1.00000   0.06572
OC   0.03750   0.31000   0.26240   1.00000   0.05221
OD   0.17710   0.12570   0.40400   1.00000   0.06010
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 0.07961 0.12282 0.10951 0.00000 0.03293 0.00000
Na 0.07961 0.12282 0.10951 0.00000 0.03293 0.00000
Ba 0.07961 0.12282 0.10951 0.00000 0.03293 0.00000
Fe 0.07961 0.12282 0.10951 0.00000 0.03293 0.00000
AlT1 0.04036 0.03013 0.02546 -0.00639 0.01369 -0.00192
SiT1 0.04036 0.03013 0.02546 -0.00639 0.01369 -0.00192
AlT2 0.03622 0.02094 0.03251 -0.00124 0.01210 -0.00021
SiT2 0.03622 0.02094 0.03251 -0.00124 0.01210 -0.00021
OA1 0.08447 0.04952 0.03666 0.00000 0.02840 0.00000
OA2 0.05674 0.02506 0.06476 0.00000 0.01681 0.00000
OB 0.06206 0.07278 0.07197 -0.00984 0.03811 0.00243
OC 0.05228 0.03210 0.06257 -0.00783 0.01589 -0.00243
OD 0.06324 0.05965 0.03985 0.01103 0.00600 0.00687