data_global _amcsd_formula_title 'Cl H30 N7 O19 P6' loop_ _publ_author_name 'Averbuch-Pouchot M' 'Durif A' _journal_name_full 'European Journal of Solid State and Inorganic Chemistry' _journal_volume 30 _journal_year 1993 _journal_page_first 447 _journal_page_last 459 _publ_section_title ; (NH4)6P6O18.NH4X.H2O (X=Cl,Br,I). The first examples of cyclohexaphosphate-halides _cod_database_code 1007201 ; _database_code_amcsd 0012573 _chemical_formula_sum 'N7 P6 O19 Cl H26' _cell_length_a 6.738 _cell_length_b 10.101 _cell_length_c 19.33 _cell_angle_alpha 101.48 _cell_angle_beta 90.84 _cell_angle_gamma 107.31 _cell_volume 1227.053 _exptl_crystal_density_diffrn 1.758 _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 N1 0.06440 0.29460 0.36050 N2 0.43540 0.71350 0.14130 N3 0.00210 0.85370 0.27220 N4 0.51780 0.20460 0.22580 N5 0.71650 0.54950 0.40990 N6 0.81590 0.45330 0.07970 N7 0.50000 0.00000 0.00000 N8 0.00000 0.00000 0.50000 P1 0.27970 0.70853 0.45687 P2 0.51262 0.85868 0.59077 P3 0.50890 0.85813 0.35311 P4 0.03196 0.90136 0.85140 P5 0.76120 0.71340 0.93432 P6 0.99034 0.82591 0.07175 O1 0.51640 0.19470 0.49296 O2 0.31010 0.78580 0.39160 O3 0.30230 0.56610 0.43630 O4 0.08880 0.72690 0.48920 O5 0.58720 0.01460 0.40080 O6 0.62120 0.25080 0.37474 O7 0.26000 0.08900 0.38970 O8 0.43080 0.86280 0.28200 O9 0.67840 0.79590 0.36200 O10 0.07760 -0.00850 0.10280 O11 0.06290 0.13230 0.22180 O12 0.73910 0.04480 0.13540 O13 0.23750 0.42910 0.05790 O14 0.43060 0.26200 0.09130 O15 0.83370 0.82380 0.00830 O16 0.86660 0.75340 0.12400 O17 0.16870 0.77920 0.04430 O18 0.05150 0.23210 0.11290 O19 0.39030 0.48460 0.24860 Cl1 0.92130 0.50450 0.25512 H1 0.14800 0.39100 0.38000 H2 0.10700 0.24600 0.37900 H3 0.05600 0.25900 0.31100 H4 0.94800 0.28400 0.37900 H5 0.36700 0.74800 0.11000 H6 0.42100 0.74900 0.18300 H7 0.37200 0.61000 0.12800 H8 0.57500 0.74600 0.12900 H9 0.94700 0.81600 0.23300 H10 0.90000 0.82500 0.30600 H11 0.10100 0.82500 0.27400 H12 0.00300 0.95800 0.26900 H13 0.57100 0.21000 0.27200 H14 0.62900 0.29100 0.23200 H15 0.37400 0.17500 0.21900 H16 0.57100 0.14700 0.20100 H17 0.68600 0.45700 0.40200 H18 0.77800 0.54200 0.36100 H19 0.58800 0.57100 0.41700 H20 0.82700 0.60200 0.43600 H21 0.72500 0.39000 0.07400 H22 0.94100 0.42900 0.05500 H23 0.83600 0.56200 0.08900 H24 0.84100 0.46300 0.12500 H25 0.47100 0.56600 0.27100 H26 0.26700 0.49800 0.25200