data_global _amcsd_formula_title 'K3Nb3B2O12' loop_ _publ_author_name 'Choisnet J' 'Groult D' 'Raveau B' 'Gasperin M' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 33 _journal_year 1977 _journal_page_first 1841 _journal_page_last 1845 _publ_section_title ; Nouvelles structures a tunnels de section pentagonale K3Nb3B2O12 et K3Ta3B2O12 _cod_database_code 1001008 ; _database_code_amcsd 0009593 _chemical_formula_sum 'K3 Nb3 O12 B2' _cell_length_a 34.01 _cell_length_b 34.01 _cell_length_c 3.966 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 3972.799 _exptl_crystal_density_diffrn 4.077 _symmetry_space_group_name_H-M 'P 3 1 m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x-y,-y,z' '-y,x-y,z' 'y,x,z' '-x+y,-x,z' '-x,-x+y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z K1 0.14890 0.00000 0.45960 K2 0.39830 0.00000 0.45850 K3 0.64900 0.00000 0.44930 K4 0.89960 0.00000 0.46870 K5 0.14820 0.24800 0.45830 K6 0.14920 0.50000 0.46410 K7 0.15020 0.75230 0.45430 K8 0.10130 0.35000 0.45230 K9 0.10030 0.60090 0.45830 K10 0.35230 0.60070 0.47230 Nb1 0.06170 0.00000 0.00000 Nb2 0.31100 0.00000 -0.07380 Nb3 0.56120 0.00000 -0.06640 Nb4 0.81260 0.00000 -0.01400 Nb5 0.06090 0.24980 -0.06480 Nb6 0.06110 0.49900 -0.02770 Nb7 0.06220 0.75080 -0.07330 Nb8 0.18730 0.43810 -0.06760 Nb9 0.18880 0.68830 -0.02040 Nb10 0.43890 0.68880 0.00710 O1 0.20530 0.00000 -0.00040 O2 0.45370 0.00000 -0.04090 O3 0.70670 0.00000 -0.09040 O4 0.95460 0.00000 -0.06300 O5 0.20320 0.24680 0.00210 O6 0.20560 0.49990 -0.03130 O7 0.20390 0.75010 -0.04250 O8 0.04570 0.29350 -0.03720 O9 0.04610 0.54710 -0.04890 O10 0.29610 0.54580 -0.06680 O11 0.06060 0.00000 0.43160 O12 0.31000 0.00000 0.45440 O13 0.56730 0.00000 0.48160 O14 0.81660 0.00000 0.46720 O15 0.06100 0.24390 0.46670 O16 0.06440 0.49700 0.45280 O17 0.06440 0.75410 0.48090 O18 0.18480 0.43050 0.45190 O19 0.18390 0.68270 0.45120 O20 0.43410 0.68110 0.45120 O21 0.12550 0.04650 -0.08670 O22 0.12550 0.29600 -0.01510 O23 0.12510 0.54650 -0.03640 O24 0.12560 0.79340 -0.06910 O25 0.37710 0.04890 -0.00440 O26 0.37710 0.29680 0.00150 O27 0.37510 0.54750 -0.05400 O28 0.37600 0.79520 -0.06740 O29 0.62770 0.04730 -0.02040 O30 0.62540 0.29630 -0.00150 O31 0.62440 0.54610 -0.01910 O32 0.62620 0.79740 -0.08470 O33 0.87710 0.04700 -0.03850 O34 0.87630 0.29590 -0.03740 O35 0.87500 0.54660 -0.05680 O36 0.20150 0.07840 -0.07250 B1 0.33333 0.66667 -0.01420 B2 0.08310 0.16730 -0.04960 B3 0.08210 0.41660 -0.02690 B4 0.16780 0.33590 -0.03860 B5 0.16740 0.58450 -0.05400 B6 0.08220 0.66540 -0.01150