data_global _amcsd_formula_title 'H2 K7 N O22 P6' loop_ _publ_author_name 'Averbuch-Pouchot M' 'Durif A' _journal_name_full 'European Journal of Solid State and Inorganic Chemistry' _journal_volume 29 _journal_year 1992 _journal_page_first 1161 _journal_page_last 1172 _publ_section_title ; Structural characterization of a series of cyclohexaphosphate nitrates: M6P6O18.MNO3.H2O. (M=K, NH4 and Rb) _cod_database_code 1007208 ; _database_code_amcsd 0012559 _chemical_formula_sum 'K7 P6 O22 N H2' _cell_length_a 9.700 _cell_length_b 9.749 _cell_length_c 6.543 _cell_angle_alpha 107.23 _cell_angle_beta 106.37 _cell_angle_gamma 75.88 _cell_volume 558.256 _exptl_crystal_density_diffrn 2.462 _symmetry_space_group_name_H-M 'P 1' loop_ _space_group_symop_operation_xyz 'x,y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z K1 0.44970 0.83680 0.71580 K2 0.00000 0.00000 0.50000 K3 0.84740 0.44470 0.75360 K4 0.71810 0.72810 0.32730 K5 0.55190 0.16240 0.28620 K6 0.15600 0.55346 0.24860 K7 0.28010 0.26850 0.67270 P1 0.30050 0.91030 0.17880 P2 0.14247 0.18215 0.07520 P3 0.86160 0.29646 0.18550 P4 0.70230 0.08800 0.82320 P5 0.86190 0.81644 0.93330 P6 0.14220 0.70070 0.81940 O1 0.26660 0.97150 0.39750 O2 0.20210 0.01100 0.01470 O3 0.45530 0.89150 0.16190 O4 0.23320 0.76260 0.06200 O5 0.25800 0.25960 0.24130 O6 0.08050 0.22470 0.86330 O7 0.01490 0.18490 0.18730 O8 0.88250 0.44350 0.18960 O9 0.79930 0.27250 0.35280 O10 0.76590 0.23640 0.94120 O11 0.73910 0.03390 0.60510 O12 0.55170 0.11360 0.84410 O13 0.79970 -0.01150 -0.01060 O14 0.75350 0.73850 0.76710 O15 0.92510 0.77670 0.14540 O16 -0.01130 0.81180 0.81350 O17 0.20330 0.72410 0.65390 O18 0.11780 0.55420 0.80500 O19 0.48760 0.59830 0.37050 N1 0.50900 0.47070 0.82390 O20 0.49450 0.39840 0.62230 O21 0.45080 0.44530 0.95270 O22 0.58210 0.57080 0.88800 H1 0.53200 0.53400 0.47000 H2 0.45000 0.58000 0.24000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 K1 0.01650 0.02670 0.02110 -0.00560 0.00400 0.00680 K2 0.02610 0.03130 0.03090 -0.01170 0.01250 -0.00260 K3 0.03040 0.02570 0.02270 -0.00340 0.00330 0.00650 K4 0.02700 0.03160 0.03380 0.00780 0.01610 0.01600 K5 0.02110 0.02620 0.02000 -0.00730 0.00330 0.00270 K6 0.03800 0.01430 0.02040 0.00130 0.00620 0.00310 K7 0.03880 0.02590 0.03640 -0.00770 0.02170 0.00690 P1 0.01350 0.00990 0.01310 -0.00020 0.00290 0.00230 P2 0.01290 0.01450 0.01360 -0.00440 0.00270 0.00490 P3 0.01590 0.01170 0.01480 -0.00460 0.00070 0.00280 P4 0.01300 0.01540 0.01210 -0.00340 0.00070 0.00360 P5 0.01160 0.00870 0.02120 -0.00080 -0.00080 0.00410 P6 0.01510 0.01760 0.01530 -0.00210 0.00660 0.00070 O1 0.02900 0.02800 0.01300 -0.00800 -0.00150 0.00330 O2 0.01800 0.01800 0.01210 0.00330 -0.00360 0.00980 O3 0.00860 0.02200 0.03300 -0.00090 0.00720 0.00540 O4 0.02700 0.00880 0.01210 -0.01140 -0.00380 0.00130 O5 0.00990 0.01700 0.03800 -0.00480 -0.00100 -0.00300 O6 0.02000 0.02210 0.02030 0.00180 0.00030 0.01970 O7 0.01320 0.02600 0.01990 0.00350 0.00320 0.01090 O8 0.01900 0.00630 0.03300 -0.00380 0.00750 -0.00050 O9 0.02300 0.03600 0.02000 -0.01560 0.00770 0.00520 O10 0.01900 0.02200 0.02500 -0.00020 0.00120 0.01000 O11 0.02290 0.01900 0.01360 0.00110 0.01210 0.00200 O12 0.02500 0.02600 0.02600 -0.00630 0.00670 0.00670 O13 0.03500 0.00920 0.02200 -0.00560 0.00850 -0.00210 O14 0.02700 0.02300 0.03500 -0.01130 -0.00500 0.00800 O15 0.02600 0.02400 0.03000 -0.00210 0.01290 0.00570 O16 0.02200 0.02340 0.02600 -0.00370 0.00690 0.01430 O17 0.03200 0.02900 0.02100 -0.00600 0.01250 -0.00300 O18 0.03600 0.02800 0.02600 -0.01000 0.00000 0.00500 O19 0.06200 0.03300 0.03700 -0.00100 0.00700 0.00000 N1 0.02000 0.01700 0.02600 -0.00100 0.00400 0.00200 O20 0.06300 0.03700 0.01400 -0.02300 0.00700 -0.00400 O21 0.04500 0.03600 0.02900 -0.00140 0.01700 -0.00200 O22 0.03900 0.03500 0.04500 -0.01700 0.00600 0.00500