#====================================================================== # CRYSTAL DATA #---------------------------------------------------------------------- data_VICS_phase_1 _pd_phase_name La2(ox)3_9-5H2O _cell_length_a 11.34700 _cell_length_b 9.58000 _cell_length_c 10.45500 _cell_angle_alpha 90 _cell_angle_beta 114.52000 _cell_angle_gamma 90 _symmetry_space_group_name_H-M 'P 21/c ' _symmetry_Int_Tables_number 14 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' 2 '-x, -y, -z' 3 '-x, y+1/2, -z+1/2' 4 'x, -y+1/2, z+1/2' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C(1) 1.0 0.00020 0.44900 0.44260 Biso 1.000 C C(2) 1.0 0.44510 0.47480 0.43080 Biso 1.000 C C(3) 1.0 0.46520 0.56960 0.99690 Biso 1.000 C O(1) 1.0 0.10640 0.57040 0.65920 Biso 1.000 O O(2) 1.0 0.10520 0.39560 0.46020 Biso 1.000 O O(3) 1.0 0.34280 0.43650 0.43650 Biso 1.000 O O(4) 1.0 0.47000 0.47500 0.32460 Biso 1.000 O O(5) 1.0 0.37420 0.60060 0.88470 Biso 1.000 O O(6) 1.0 0.49320 0.36020 0.89150 Biso 1.000 O O(7) 1.0 0.20010 0.30380 0.79200 Biso 1.000 O O(8) 1.0 0.29020 0.70080 0.57660 Biso 1.000 O O(9) 1.0 0.32990 0.30240 0.11320 Biso 1.000 O La 1.0 0.31100 0.45290 0.66860 Biso 1.000 La O(10) 0.500 0.15930 0.59530 0.17860 Biso 1.000 O O(11) 0.500 -0.06490 0.20510 0.63050 Biso 1.000 O O(12) 0.500 0.07710 0.68890 0.29410 Biso 1.000 O O(13) 0.250 0.09460 0.47470 0.00410 Biso 1.000 O