#********************************************************************************* # # Crystallographic Information File for Cobalt Gallium Phosphate-5 # # Reference : # Chippindale, A.M. and Cowley, A.R. # Zeolites, 18, 176-181, (1997) # # # CIF downloaded from the IZA-SC Database of Zeolite Structures # Ch. Baerlocher and L.B. McCusker, # Database of Zeolite Structures: http://www.iza-structure.org/databases/ # #********************************************************************************** data_Cobalt_Gallium_Phosphate-5 _chemical_name_systematic 'Cobalt Gallium Phosphate-5' _cell_length_a 15.002 _cell_length_b 17.688 _cell_length_c 15.751 _cell_angle_alpha 90 _cell_angle_beta 97.24 _cell_angle_gamma 90 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'I 1 2/a 1' _symmetry_space_group_name_H-M 'I 1 2/a 1' _symmetry_space_group_name_Hall '-I 2ya' _space_group.IT_number 15 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_B_iso_or_equiv _atom_site_occupancy Ga1 Ga 0.75 0.29158 0.5 1.47 0.5556 Co1 Co 0.75 0.29158 0.5 1.47 0.4444 Ga2 Ga 0.32984 0.16923 0.18415 1.63 0.5556 Co2 Co 0.32984 0.16923 0.18415 1.63 0.4444 Ga3 Ga 0.42202 0.24028 0.41491 1.45 0.5556 Co3 Co 0.42202 0.24028 0.41491 1.45 0.4444 Ga4 Ga 0.63514 0.18555 0.24494 1.63 0.5556 Co4 Co 0.63514 0.18555 0.24494 1.63 0.4444 Ga5 Ga 0.52517 0.40972 0.18697 2.16 0.5556 Co5 Co 0.52517 0.40972 0.18697 2.16 0.4444 P6 P 0.361 0.3363 0.252 1.71 1 P7 P 0.5774 0.2711 0.0693 1.47 1 P8 P 0.6822 0.3463 0.3219 2.04 1 P9 P 0.4756 0.0936 0.307 1.55 1 P10 P 0.25 0.289 0.5 1.98 1 O1 O 0.8277 0.2249 0.4553 3.05 1 O2 O 0.7114 0.364 0.4163 2.79 1 O3 O 0.4202 0.0985 0.2176 2.56 1 O4 O 0.2386 0.148 0.2461 3.96 1 O5 O 0.3731 0.2661 0.1994 3.44 1 O6 O 0.2983 0.1586 0.0673 2.83 1 O7 O 0.4106 0.325 0.3414 2.87 1 O8 O 0.4355 0.1478 0.3661 2.98 1 O9 O 0.5182 0.2648 0.4944 3.17 1 O10 O 0.3135 0.2365 0.4613 3.71 1 O11 O 0.5739 0.2161 0.1438 3.06 1 O12 O 0.5731 0.1122 0.298 3.34 1 O13 O 0.6558 0.2632 0.3183 4.52 1 O14 O 0.7439 0.1405 0.2334 4.74 1 O15 O 0.6056 0.3974 0.2906 3.55 1 O16 O 0.4009 0.403 0.2099 2.23 1 O17 O 0.5493 0.3499 0.0891 2.68 1 O18 O 0.5272 0.5173 0.1552 2.59 1 N1 N 0.8049 0.5046 0.0671 2.65 1 N2 N 0.987 0.0584 0.042 6.21 1 C1 C 0.854 0.512 -0.009 4.69 0.5 C2 C 0.74 0.569 0.066 4.23 0.5 C3 C 0.753 0.4328 0.06 4.38 0.5 C4 C 0.713 0.519 0.088 5 0.5 C6 C 0.807 0.4306 0.024 5.02 0.5 C5 C 0.831 0.564 0.01 5.01 0.5 C7 C 0.993 0.074 -0.049 7.1 0.5 C8 C 0.917 -0.001 0.049 4.87 0.5 C9 C 1.075 0.027 0.081 13.81 0.5 C10 C 1.018 -0.004 0.102 6.3 0.5 C11 C 1.059 0.075 -0.011 5.74 0.5 C12 C 0.907 0.031 -0.016 16.12 0.5 # End of data for Cobalt_Gallium_Phosphate-5