data_global
_amcsd_formula_title 'K O5 P Ti'
loop_
_publ_author_name
'Dahaoui S'
'Hansen N'
'Menaert B'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 53 
_journal_year 1997
_journal_page_first 1173
_journal_page_last 1176
_publ_section_title
;
 Na Ti O P O4 and K Ti O P O4 at 110 K
 _cod_database_code 1008808
;
_database_code_amcsd 0016679
_chemical_formula_sum 'Ti O5 P K'
_cell_length_a 12.7982
_cell_length_b 6.3937
_cell_length_c 10.5853
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 866.172
_exptl_crystal_density_diffrn      3.036
_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
Ti1   0.37309   0.49989   0.00000
O1   0.27624   0.54130  -0.11043
Ti2   0.24641   0.26951   0.25125
O2   0.27523   0.46730   0.14306
P1   0.49787   0.33640   0.25999
O3   0.48577   0.48730   0.14987
O4   0.50947   0.46540   0.38309
O5   0.40007   0.19900   0.27899
O6   0.59353   0.19310   0.24065
P2   0.18102   0.50196   0.51245
O7   0.11228   0.31070   0.54068
O8   0.11166   0.69180   0.48717
O9   0.25303   0.53850   0.62785
O10   0.25325   0.46100   0.39909
K1   0.37683   0.77983   0.30901
K2   0.10553   0.69986   0.06362
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
Ti1 0.00257 0.00219 0.00243 -0.00003 -0.00009 0.00025
O1 0.00510 0.00520 0.00510 -0.00030 -0.00150 0.00080
Ti2 0.00231 0.00243 0.00230 -0.00005 0.00015 -0.00004
O2 0.00500 0.00460 0.00430 -0.00010 0.00090 0.00120
P1 0.00235 0.00280 0.00283 0.00006 -0.00022 0.00008
O3 0.00500 0.00520 0.00490 -0.00070 -0.00090 0.00180
O4 0.00470 0.00570 0.00430 0.00040 -0.00120 -0.00150
O5 0.00330 0.00450 0.00610 -0.00060 0.00010 0.00050
O6 0.00330 0.00510 0.00650 0.00090 -0.00010 -0.00040
P2 0.00326 0.00235 0.00281 -0.00011 0.00011 -0.00023
O7 0.00530 0.00300 0.00550 -0.00070 0.00100 0.00010
O8 0.00600 0.00320 0.00650 0.00080 -0.00100 0.00020
O9 0.00560 0.00510 0.00440 0.00070 -0.00130 -0.00120
O10 0.00540 0.00550 0.00440 -0.00090 0.00140 -0.00140
K1 0.00918 0.00440 0.00869 0.00152 0.00208 0.00036
K2 0.00548 0.00814 0.01023 0.00190 -0.00007 -0.00054