Langbanite Giuseppetti G, Mazzi F, Tadini C Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 193-211 The crystal structure of monoclinic langbanite: (Mn,Ca,Fe,Mg)2+4(Mn,Fe)3+9Sb5+[O16(SiO4)2] Locality: Langban, Sweden _database_code_amcsd 0014850 11.561 20.05 11.075 90 90.03 90 C2/m atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Sba 0 0 0 .38 .00467 .00503 .00469 0 -.00149 0 Sbb 0 .3254 0 .36 .00358 .00550 .00468 0 -.00155 0 Mn1a .5 0 0 .57 2.43 .02301 .01190 .05750 0 .02853 0 Ca1a .5 0 0 .43 2.43 .02301 .01190 .05750 0 .02853 0 Mn1b .5 .337 0 .96 .64 .00584 .00693 .01143 0 .00057 0 Mg1b .5 .337 0 .04 .64 .00584 .00693 .01143 0 .00057 0 Mn1c .25 .25 0 .97 .63 .00527 .00766 .01099 .00033 -.00214 -.00090 Mg1c .25 .25 0 .03 .63 .00527 .00766 .01099 .00033 -.00214 -.00090 Mn1d .2509 .0857 .0053 .91 .93 .00760 .01019 .01761 -.00082 -.00469 .00480 Ca1d .2509 .0857 .0053 .09 .93 .00760 .01019 .01761 -.00082 -.00469 .00480 Mn2a .8103 0 .2605 .77 .50 .00639 .00717 .00529 0 -.00067 0 Fe2a .8103 0 .2605 .23 .50 .00639 .00717 .00529 0 -.00067 0 Mn2b .8404 .3333 .2700 .82 .45 .00395 .00799 .00524 .00043 -.00145 .00025 Fe2b .8404 .3333 .2700 .18 .45 .00395 .00799 .00524 .00043 -.00145 .00025 Mn2c .0831 .0785 .2702 .61 .48 .00576 .00683 .00563 -.00059 -.00144 .00003 Fe2c .0831 .0785 .2702 .39 .48 .00576 .00683 .00563 -.00059 -.00144 .00003 Mn2d .0938 .2374 .2675 .72 .49 .00513 .00762 .00585 .00001 -.00174 .00019 Fe2d .0938 .2374 .2675 .28 .49 .00513 .00762 .00585 .00001 -.00174 .00019 Mn2e .0758 .413 .2626 .60 .45 .00534 .00660 .00528 -.00040 -.00173 -.00025 Fe2e .0758 .413 .2626 .40 .45 .00534 .00660 .00528 -.00040 -.00173 -.00025 Mn3a .5 0 .5 .91 .66 .00598 .00607 .01309 0 .00294 0 Fe3a .5 0 .5 .09 .66 .00598 .00607 .01309 0 .00294 0 Mn3b .5 .3389 .5 .87 .48 .00363 .00546 .00899 0 .00008 0 Fe3b .5 .3389 .5 .13 .48 .00363 .00546 .00899 0 .00008 0 Mn3c .25 .25 .5 .99 .46 .00314 .00552 .00884 .00042 -.00243 -.00147 Fe3c .25 .25 .5 .01 .46 .00314 .00552 .00884 .00042 -.00243 -.00147 Mn3d .2564 .0836 .5093 .99 .47 .00361 .00568 .00861 -.00007 -.00267 .00155 Fe3d .2564 .0836 .5093 .01 .47 .00361 .00568 .00861 -.00007 -.00267 .00155 Mn4a 0 0 .5 .94 .71 .01218 .00731 .00730 0 -.00008 0 Fe4a 0 0 .5 .06 .71 .01218 .00731 .00730 0 -.00008 0 Mn4b 0 .3285 .5 .92 .67 .00601 .01147 .00790 0 -.00170 0 Fe4b 0 .3285 .5 .08 .67 .00601 .01147 .00790 0 -.00170 0 Sia .3323 0 .2383 .57 .00732 .00784 .00661 0 -.00354 0 Sib .3327 .3342 .2393 .46 .00473 .00731 .00545 -.00014 -.00106 -.00023 O1a .3330 0 .0904 .96 .01490 .01360 .00800 0 -.00011 0 O1b .3327 .3341 .0911 .65 .00794 .00949 .00736 .00095 -.00125 .00045 O2a .8453 0 .0894 .72 .00600 .01220 .00900 0 -.00033 0 O2b .8550 .3261 .0955 .67 .00408 .01418 .00716 -.00062 .00171 -.00125 O2c .0690 .0734 .0948 .70 .01131 .00791 .00731 -.00095 -.00058 -.00093 O2d .0776 .2510 .0925 .63 .00866 .00723 .00807 .00228 -.00318 .00132 O2e .0766 .3982 .0915 .72 .01100 .00966 .00656 -.00371 -.00120 -.00269 O3a .6329 0 .2208 1.11 .02230 .00670 .01320 0 .00140 0 O3b .6817 .3478 .2383 .88 .00871 .01165 .01302 .00228 -.00332 -.00119 O4a .2018 0 .2852 1.50 .01070 .02100 .02520 0 .00430 0 O4b .4634 .3376 .2913 1.00 .00734 .02070 .00993 -.00076 -.00534 .00195 O4c .3971 .0651 .2891 1.48 .01830 .01350 .02450 -.00235 -.00645 -.00637 O4d .2708 .2680 .2918 1.12 .01800 .01114 .01360 -.00379 .00346 .00273 O4e .2633 .3982 .2897 1.10 .01600 .01312 .01260 .00512 .00074 -.00295 O5a -.0219 0 .2985 .66 .00570 .01050 .00870 0 .00058 0 O5b .0096 .3213 .2978 .68 .00797 .00888 .00881 .00039 -.00100 -.00018 O6a .7894 0 .4365 .59 .00880 .00590 .00780 0 -.00334 0 O6b .8117 .3343 .4475 .49 .00550 .00607 .00706 -.00007 -.00078 .00060 O6c .1019 .0921 .4487 .56 .00274 .00913 .00939 .00009 -.00091 -.00106 O6d .0997 .2294 .4472 .66 .00586 .00613 .01325 -.00285 -.00429 -.00023 O6e .0900 .4300 .4354 .55 .00517 .00876 .00697 -.00028 .00194 -.00161