data_global _amcsd_formula_title 'Cd2Na2P6O18.14H2O' loop_ _publ_author_name 'Averbuch-Pouchot M T' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 46 _journal_year 1990 _journal_page_first 10 _journal_page_last 13 _publ_section_title ; Crystal chemistry of cyclo-hexaphosphates. V. structure of cadmium sodium cyclo-hexaphosphate tetradecahydrate ; _database_code_amcsd 0010086 _chemical_formula_sum 'Na2 Cd2 P6 O32 H28' _cell_length_a 7.709 _cell_length_b 11.028 _cell_length_c 9.231 _cell_angle_alpha 108.25 _cell_angle_beta 110.06 _cell_angle_gamma 79.77 _cell_volume 697.913 _exptl_crystal_density_diffrn 2.372 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-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 Na1 0.00000 0.50000 0.50000 1.00000 0.02862 Na -0.40959 0.39358 -0.36685 0.50000 0.02153 Cd -0.40959 0.39358 -0.36685 0.50000 0.02153 Cd1 0.00000 0.00000 0.00000 1.00000 0.01611 P1 -0.15104 -0.19810 0.14057 1.00000 0.01358 P2 -0.04156 0.20697 -0.46901 1.00000 0.01559 P3 -0.29220 0.07088 0.23180 1.00000 0.01339 OE11 0.24070 0.31670 0.89170 1.00000 0.02128 OE12 0.07690 0.18310 -0.01810 1.00000 0.01874 OL13 0.30070 0.08080 0.82050 1.00000 0.01659 OL12 -0.01590 0.17540 0.69590 1.00000 0.01811 OE21 0.15260 0.66780 0.46980 1.00000 0.02596 OE22 0.13790 0.18870 0.49800 1.00000 0.02571 OL23 0.83320 0.09160 0.41480 1.00000 0.02128 OE31 0.18990 0.89050 0.85650 1.00000 0.02001 OE32 0.51790 0.13080 0.22100 1.00000 0.02254 OW1 0.62840 0.32790 0.04860 1.00000 0.03090 OW2 0.53500 0.19450 0.63270 1.00000 0.04015 OW3 0.21930 0.56070 0.10800 1.00000 0.03483 OW4 0.69520 0.54460 0.30750 1.00000 0.02926 OW5 0.75680 0.98190 0.76020 1.00000 0.02470 OW6 0.42310 0.38310 0.36310 1.00000 0.03420 OW7 0.94880 0.59800 0.76000 0.50000 0.02989 OW8 0.07210 0.34020 0.28540 0.50000 0.03204 H1W1 0.68200 0.26300 0.06900 1.00000 0.03800 H2W1 0.54000 0.31900 0.01000 1.00000 0.03800 H1W2 0.39700 0.86000 0.31700 1.00000 0.02533 H2W2 0.55300 0.82200 0.39200 1.00000 0.03800 H1W3 0.77500 0.51400 0.95000 1.00000 0.03800 H2W3 0.76100 0.39900 0.93200 1.00000 0.02533 H1W4 0.68500 0.48300 0.24400 1.00000 0.02533 H2W4 0.28700 0.40000 0.72300 1.00000 0.02786 H1W5 0.21600 0.07100 0.32300 1.00000 0.03040 H2W5 0.31300 0.05300 0.23100 1.00000 0.02533 H1W6 0.46900 0.30800 0.31300 1.00000 0.03800 H2W6 0.32700 0.37400 0.34200 1.00000 0.05066 HW7 0.98000 0.53100 0.80000 0.50000 0.03800 HW78 0.95800 0.68000 0.82500 1.00000 0.03800 HW8 0.91000 0.71700 0.67700 0.50000 0.02533