data_global _amcsd_formula_title 'Al Co F7 Na2' loop_ _publ_author_name 'Boireau A' 'Gravereau P' 'Dance J' 'Tressaud A' 'Hagenmuller P' 'Soubeyroux J' 'Welsch M' 'Babel D' _journal_name_full 'Materials Research Bulletin' _journal_volume 28 _journal_year 1993 _journal_page_first 27 _journal_page_last 38 _publ_section_title ; Structural and magnetic properties of several cobalt(II) weberites _cod_database_code 1008866 ; _database_code_amcsd 0016734 _chemical_formula_sum 'Na2 Co Al F7' _cell_length_a 12.378 _cell_length_b 7.210 _cell_length_c 24.019 _cell_angle_alpha 90 _cell_angle_beta 99.67 _cell_angle_gamma 90 _cell_volume 2113.128 _exptl_crystal_density_diffrn 3.330 _symmetry_space_group_name_H-M 'C 1 2/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' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Na1 0.00000 0.00000 0.00000 Na2 0.00000 0.50000 0.00000 Na3 0.25000 0.25000 0.50000 Na4 0.00000 0.78530 0.25000 Na5 0.25310 0.04560 0.25339 Na6 0.37320 0.50890 0.12145 Co1 0.37760 0.01138 0.12761 Co2 0.12666 0.26382 0.12600 Al1 0.25000 0.25000 0.00000 Al2 0.00000 0.25220 0.25000 Al3 0.12640 0.76510 0.12584 F1 0.33200 0.09300 0.04700 F2 0.14970 0.27670 0.04540 F3 0.32770 0.44930 0.03130 F4 0.07750 0.07510 0.29070 F5 0.10510 0.25800 0.20670 F6 0.42420 -0.06280 0.20920 F7 0.26180 -0.18450 0.11260 F8 0.49170 0.21180 0.14010 F9 0.17380 0.53050 0.14010 F10 0.08770 0.72100 0.05110 F11 0.07830 -0.00150 0.11150 F12 0.16520 0.81090 0.20080 F13 -0.02960 0.32550 0.09480 F14 0.28270 0.19960 0.15820 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 Na1 0.03450 0.02140 0.03500 -0.00300 -0.00790 -0.01240 Na2 0.02770 0.04420 0.04530 0.00630 0.01590 0.01830 Na3 0.05490 0.04320 0.06560 0.01880 0.02990 0.02270 Na4 0.03870 0.02680 0.04780 0.00000 0.02010 0.00000 Na5 0.02380 0.02180 0.02760 0.00440 0.00110 0.00850 Na6 0.03170 0.04740 0.01420 0.00170 -0.00020 -0.01040 Co1 0.00770 0.00880 0.00910 -0.00010 0.00160 -0.00050 Co2 0.00830 0.00790 0.00860 -0.00040 0.00220 0.00000 Al1 0.00910 0.01110 0.00510 -0.00030 0.00200 -0.00090 Al2 0.00860 0.00980 0.00620 0.00000 0.00150 0.00000 Al3 0.00750 0.00630 0.00970 -0.00100 0.00120 0.00030 F1 0.01900 0.02520 0.01330 -0.00580 0.00040 -0.00870 F2 0.01780 0.02540 0.01450 -0.00410 0.00940 -0.00320 F3 0.02020 0.02070 0.01420 0.00580 0.00160 0.00260 F4 0.01850 0.01750 0.01330 -0.00400 0.00020 -0.00500 F5 0.01630 0.02490 0.01250 -0.00130 0.00800 -0.00150 F6 0.01940 0.01920 0.01480 0.00520 0.00090 0.00570 F7 0.01080 0.01770 0.02630 -0.00460 0.00560 -0.00020 F8 0.01180 0.01700 0.02620 0.00460 0.00550 0.00050 F9 0.01780 0.00780 0.02280 0.00050 0.00120 0.00080 F10 0.02160 0.01820 0.01360 -0.00390 -0.00140 -0.00370 F11 0.01820 0.00830 0.02200 0.00160 0.00100 0.00190 F12 0.01910 0.01530 0.01300 0.00040 -0.00100 -0.00210 F13 0.01100 0.01790 0.01930 0.00460 0.00280 -0.00190 F14 0.01200 0.01640 0.01930 -0.00340 0.00270 0.00290