data_global _amcsd_formula_title 'Ca H11 Na2 O17.5 P4' loop_ _publ_author_name 'Averbuch-Pouchot M' 'Durif A' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 44 _journal_year 1988 _journal_page_first 212 _journal_page_last 216 _publ_section_title ; Crystal structures of two new types of cyclo-tetraphosphates: tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and calcium disodium cyclo-tetraphosphate 5.5-hydrate _cod_database_code 1007179 ; _database_code_amcsd 0010062 _chemical_formula_sum 'Ca2 P8 Na4 O35' _cell_length_a 27.88 _cell_length_b 7.536 _cell_length_c 7.378 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1550.145 _exptl_crystal_density_diffrn 2.099 _symmetry_space_group_name_H-M 'P m a 2' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,-y,z' '1/2-x,y,z' '-x,-y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ca1 0.00000 0.00000 0.00000 Ca2 0.25000 0.37180 0.61830 P1 0.04968 0.29250 0.34140 P2 0.05558 0.68840 0.33130 P3 0.19791 0.71700 0.91290 P4 0.19704 0.43740 0.18890 Na1 0.37650 0.02610 0.10480 Na2 0.13200 0.47810 0.61420 O1 0.41780 0.26020 0.49540 O2 0.44890 0.17110 0.18220 O3 0.44490 0.48710 0.25970 O4 0.00360 0.70300 0.42420 O5 0.09070 0.71050 0.47720 O6 0.44220 0.80070 0.16710 O7 0.19860 0.56990 0.77730 O8 0.33540 0.86560 0.89310 O9 0.33690 0.31500 0.09670 O10 0.19540 0.45320 0.38780 O11 0.25000 0.39160 0.12120 O12 0.25000 0.80170 0.93310 O13 0.31030 0.63570 0.11120 O14 0.41620 0.48650 0.87680 O15 0.18530 0.21050 0.75210 O16 0.07310 0.00950 0.80220 O17 0.49950 0.28160 0.82790 O18 0.15480 -0.01230 0.39910 O19 0.25000 0.09260 0.45930