data_global _amcsd_formula_title 'Na2(Mn5.26Na0.74)Ge6O20' loop_ _publ_author_name 'Redhammer G J' 'Roth G' 'Topa D' 'Amthauer G' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 64 _journal_year 2008 _journal_page_first i21 _journal_page_last i26 _publ_section_title ; Synthetic aenigmatite analog Na2(Mn5.26Na0.74)Ge6O20: structure and crystal chemical considerations T = 295 K ; _database_code_amcsd 0010341 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Na2.74 Mn5.26 Ge6 O20' _cell_length_a 10.5578 _cell_length_b 11.1532 _cell_length_c 9.1833 _cell_angle_alpha 106.707 _cell_angle_beta 95.809 _cell_angle_gamma 124.367 _cell_volume 806.042 _exptl_crystal_density_diffrn 4.564 _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 _atom_site_occupancy Na2 -0.29130 0.63000 0.38300 1.00000 Na3 0.16290 0.61180 0.37350 1.00000 Mn1 0.50000 1.00000 0.50000 1.00000 Mn2 0.50000 0.50000 1.00000 1.00000 Mn3 0.80868 0.84635 0.17711 1.00000 Mn4 0.09944 0.94628 0.06221 1.00000 Mn5 0.27496 0.82376 0.15887 1.00000 Mn6 0.59140 0.93670 0.05980 0.26000 Na1 0.59140 0.93670 0.05980 0.74000 Mn7 0.48962 0.72991 0.26696 1.00000 Ge1 -0.28732 0.65515 0.75805 1.00000 Ge2 0.02820 0.76641 0.66405 1.00000 Ge3 0.22611 0.65845 0.77842 1.00000 Ge4 0.52220 0.76621 0.65123 1.00000 Ge5 0.14459 0.94746 0.44097 1.00000 Ge6 0.13837 0.43761 0.95231 1.00000 O1 -0.16030 0.82600 0.93430 1.00000 O2 -0.44300 0.48630 0.77400 1.00000 O3 -0.16720 0.61970 0.66010 1.00000 O4 -0.38120 0.68090 0.61310 1.00000 O5 0.14560 0.94240 0.83320 1.00000 O6 0.11270 0.66630 0.63120 1.00000 O7 -0.00490 0.79490 0.49180 1.00000 O8 0.33590 0.82650 0.95390 1.00000 O9 0.08510 0.48570 0.79900 1.00000 O10 0.34820 0.62720 0.68970 1.00000 O11 0.65060 0.94320 0.81980 1.00000 O12 0.44910 0.77530 0.47960 1.00000 O13 0.26010 1.12780 0.61080 1.00000 O14 0.26240 0.88480 0.38780 1.00000 O15 0.04580 0.95410 0.28580 1.00000 O16 0.24490 0.60640 1.13320 1.00000 O17 -0.04470 0.27910 0.95620 1.00000 O18 0.26310 0.38790 0.89040 1.00000 O19 0.49820 0.92400 0.28550 1.00000 O20 0.56010 0.71030 0.07960 1.00000 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 Na2 0.01210 0.01510 0.01810 0.00660 0.00620 0.00870 Na3 0.01470 0.02290 0.01670 0.01010 0.00520 0.01110 Mn1 0.00940 0.01070 0.00710 0.00310 0.00300 0.00640 Mn2 0.01030 0.00950 0.00960 0.00310 0.00370 0.00650 Mn3 0.00990 0.01050 0.01120 0.00410 0.00420 0.00710 Mn4 0.01200 0.01230 0.01240 0.00580 0.00450 0.00780 Mn5 0.01110 0.01270 0.01120 0.00620 0.00490 0.00820 Mn6 0.00700 0.01170 0.01240 0.00730 0.00330 0.00410 Na1 0.00700 0.01170 0.01240 0.00730 0.00330 0.00410 Mn7 0.01040 0.00940 0.00810 0.00430 0.00440 0.00750 Ge1 0.00880 0.01030 0.00940 0.00400 0.00330 0.00570 Ge2 0.01190 0.01260 0.01090 0.00450 0.00380 0.00790 Ge3 0.01210 0.01130 0.01360 0.00420 0.00420 0.00730 Ge4 0.00960 0.01030 0.00920 0.00400 0.00250 0.00580 Ge5 0.01130 0.00880 0.00770 0.00320 0.00460 0.00660 Ge6 0.01230 0.00810 0.01010 0.00430 0.00590 0.00720 O1 0.01400 0.01200 0.01000 0.00100 0.00100 0.00900 O2 0.01100 0.01600 0.01900 0.00900 0.00700 0.00800 O3 0.01000 0.00900 0.01700 0.00400 0.00700 0.00800 O4 0.01700 0.01800 0.01300 0.00400 0.00500 0.01600 O5 0.00900 0.01300 0.01000 0.00300 0.00000 0.00600 O6 0.01700 0.01700 0.01600 0.01100 0.00600 0.01400 O7 0.00600 0.00600 0.01300 0.00400 0.00500 0.00100 O8 0.01400 0.01200 0.01600 0.00300 0.00100 0.00500 O9 0.01200 0.00900 0.01700 0.00500 0.00500 0.00600 O10 0.01100 0.01200 0.01700 0.00600 0.00700 0.00500 O11 0.01700 0.00700 0.01500 0.00200 -0.00100 0.00500 O12 0.01600 0.01200 0.01400 0.01000 0.00700 0.01100 O13 0.01000 0.01100 0.01900 0.00600 0.00500 0.00500 O14 0.01800 0.01600 0.01200 0.00500 0.00700 0.01100 O15 0.02300 0.01500 0.01000 0.00600 0.00500 0.01400 O16 0.02200 0.01700 0.01600 0.00600 0.00500 0.01200 O17 0.02400 0.01100 0.02300 0.00700 0.01200 0.01200 O18 0.01500 0.01300 0.00600 0.00300 0.00300 0.00900 O19 0.01500 0.01700 0.00900 0.00400 0.00100 0.00600 O20 0.02600 0.01600 0.01500 0.00300 0.00000 0.01300