data_global _amcsd_formula_title 'H30 I 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 1007202 ; _database_code_amcsd 0012574 _chemical_formula_sum 'N7 P6 I O19 H28' _cell_length_a 14.96 _cell_length_b 24.819 _cell_length_c 6.710 _cell_angle_alpha 90 _cell_angle_beta 91.86 _cell_angle_gamma 90 _cell_volume 2490.058 _exptl_crystal_density_diffrn 1.982 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z N1 0.54290 0.62860 0.31430 N2 0.08960 0.77130 0.31150 N3 0.88900 0.53030 0.68210 N4 0.96370 0.62210 0.16540 N5 0.91240 0.02010 0.67430 N6 0.38630 0.78100 0.15740 N7 0.24950 0.12340 0.26370 P1 0.08796 0.11707 0.68700 P2 0.14907 0.22009 0.84820 P3 0.32701 0.22983 0.67530 P4 0.41210 0.13365 0.83900 P5 0.35413 0.03003 0.67910 P6 0.17518 0.02025 0.84480 I1 0.75773 0.12469 0.56154 O1 0.15030 0.08303 0.83950 O2 0.14190 0.17224 0.68530 O3 0.50030 0.62440 0.72260 O4 0.09070 0.09415 0.48230 O5 0.25300 0.23374 0.84130 O6 0.86830 0.80070 0.94980 O7 0.40500 0.76551 0.73320 O8 0.78730 0.26060 0.97330 O9 0.09540 0.76200 0.74780 O10 0.14870 0.66683 0.81900 O11 0.50170 0.12530 0.75490 O12 0.90640 0.34296 0.54180 O13 0.64090 0.92188 0.15870 O14 0.12670 0.55070 0.02180 O15 0.90740 0.51500 0.26380 O16 0.74970 0.48330 0.18060 O17 0.21390 0.01070 0.04750 O18 0.59780 0.51220 0.26730 O19 0.72400 0.12420 0.03600 H1 0.00300 0.12000 0.27200 H2 0.47500 0.37200 0.55600 H3 0.43400 0.33700 0.69200 H4 0.92600 0.10300 0.18100 H5 0.86800 0.23200 0.73300 H6 0.42100 0.30400 0.19600 H7 0.40000 0.26800 0.05300 H8 0.96200 0.24600 0.71600 H9 0.08100 0.44100 0.30700 H10 0.10300 0.49600 0.24100 H11 0.15900 0.45900 0.31500 H12 0.09700 0.48200 0.42900 H13 -0.00500 0.37000 0.74000 H14 0.05500 0.40800 0.81000 H15 0.58200 0.14400 0.32100 H16 0.01700 0.38000 0.94900 H17 0.86700 0.01100 0.75600 H18 0.03400 -0.00200 0.28100 H19 0.92000 0.05700 0.68900 H20 0.59900 0.50900 0.94800 H21 0.07900 0.30800 0.31300 H22 0.60400 0.23800 0.78000 H23 0.10200 0.27700 0.46400 H24 0.66200 0.20700 0.83000 H25 0.70400 0.35600 0.72000 H26 0.29000 0.13200 0.19700 H27 0.75800 0.35400 0.80200 H28 0.74000 0.41800 0.69400