data_global _chemical_name_mineral 'Mangan-neptunite' loop_ _publ_author_name 'Zolotarev A A' 'Krivovichev S V' 'Yakovenchuk V N' _journal_name_full 'Zapiski Vserossijskogo Mineralogicheskogo Obshchestva' _journal_volume 136 _journal_year 2007 _journal_page_first 118 _journal_page_last 123 _publ_section_title ; Refinement of the mangan-neptunite structure Note: changed signs of z-coordinates of O12 and O14, Ti1(y) to .32364 ; _database_code_amcsd 0015716 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Si8 Ti2 Fe2 Na2 K Li O24' _cell_length_a 16.4821 _cell_length_b 12.5195 _cell_length_c 10.0292 _cell_angle_alpha 90 _cell_angle_beta 115.474 _cell_angle_gamma 90 _cell_volume 1868.306 _exptl_crystal_density_diffrn 3.229 _symmetry_space_group_name_H-M 'C 1 c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Si1 0.14640 0.40807 0.06260 0.00610 Si2 0.85522 0.59502 -0.05950 0.00650 Si3 0.52338 0.22472 0.08360 0.00700 Si4 0.47738 0.77184 -0.08550 0.00620 Si5 0.76903 0.47365 0.11050 0.00650 Si6 0.22894 0.52406 0.89150 0.00650 Si7 0.89388 0.15208 0.07900 0.00690 Si8 0.10519 0.85221 -0.08340 0.00640 Ti1 0.34233 0.32364 0.10313 0.00620 Ti2 0.08716 0.05326 0.11462 0.00640 Fe1 0.66082 0.68390 -0.09788 0.01180 Fe2 -0.08942 -0.06065 0.88539 0.01220 Na1 0.26540 0.19740 0.31270 0.02100 Na2 0.73680 0.80120 0.69710 0.01700 K -0.00131 0.42070 0.24970 0.02340 Li 0.50070 0.43490 0.24900 0.01500 O1 0.95800 0.05300 0.07680 0.00740 O2 0.05020 -0.04370 -0.07020 0.00780 O3 0.45580 0.32290 0.07290 0.00760 O4 0.54180 0.67040 -0.06580 0.00900 O5 0.10860 0.16720 0.26060 0.00950 O6 0.88780 0.82610 0.72900 0.01240 O7 0.37050 0.42950 0.22270 0.01050 O8 0.62160 0.54980 0.73830 0.01150 O9 0.20520 0.07270 0.09920 0.00870 O10 0.79010 -0.08010 -0.08940 0.00870 O11 0.71160 0.36500 0.03860 0.00970 O12 0.29000 0.63070 -0.05000 0.01030 O13 0.21410 0.31040 0.08000 0.00770 O14 0.79610 0.69720 -0.06490 0.00860 O15 0.83190 0.49540 0.02360 0.00940 O16 0.16720 0.51050 -0.01870 0.00930 O17 0.15860 0.45130 0.22370 0.00990 O18 0.83850 0.55130 0.77840 0.01020 O19 0.39680 0.21140 0.25110 0.01020 O20 0.60420 0.79440 0.74080 0.01180 O21 0.46280 0.11580 0.02230 0.00920 O22 0.54030 0.87910 -0.02660 0.00870 O23 0.92520 0.26090 0.02250 0.00920 O24 0.06840 0.74580 -0.03410 0.01040