data_global
_amcsd_formula_title 'K O5 Sb Si'
loop_
_publ_author_name
'Crosnier M'
'Guyomard D'
'Verbaere A'
'Piffard Y'
_journal_name_full 'European Journal of Solid State and Inorganic Chemistry'
_journal_volume 27 
_journal_year 1990
_journal_page_first 845
_journal_page_last 854
_publ_section_title
;
 KSbOSiO4: a new isomorphous derivative of KTiOPO4
 _cod_database_code 1000298
;
_database_code_amcsd 0012534
_chemical_formula_sum 'Sb Si K O5'
_cell_length_a 13.005
_cell_length_b 6.4748
_cell_length_c 10.614
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 893.750
_exptl_crystal_density_diffrn      3.997
_symmetry_space_group_name_H-M 'P n a 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,1/2+z'
  '-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sb1   0.38119   0.50020   0.00000
Sb2   0.24768   0.25260   0.24880
Si1   0.49980   0.32710   0.24880
Si2   0.18150   0.50390   0.49940
K1   0.38160   0.77660   0.31070
K2   0.10730   0.69620   0.06560
O1   0.48460   0.49100   0.13440
O2   0.50820   0.46610   0.37650
O3   0.39660   0.18340   0.26770
O4   0.59930   0.19400   0.23180
O5   0.11120   0.30300   0.53140
O6   0.10770   0.69790   0.47230
O7   0.25580   0.53800   0.61880
O8   0.26260   0.45200   0.38490
O9   0.22290   0.98000   0.63220
O10   0.22860   0.03900   0.37770
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
Sb1 0.00570 0.00690 0.00430 0.00050 0.00070 0.00080
Sb2 0.00570 0.00740 0.00440 -0.00040 0.00030 -0.00020
Si1 0.00600 0.00860 0.00630 -0.00200 -0.00010 -0.00200
Si2 0.00810 0.00600 0.00620 0.00000 0.00500 -0.00010
K1 0.02400 0.01500 0.03200 0.00640 0.00680 0.00490
K2 0.01380 0.02400 0.03600 0.00600 0.00010 0.00300