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Langbanite |
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Moore P B, Sen Gupta P K, Le Page Y |
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American Mineralogist 76 (1991) 1408-1425 |
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The remarkable langbanite structure type: Crystal structure, chemical |
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crystallography and relation to some other cation close-packed structures |
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_database_code_amcsd 0001397 |
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11.563 11.563 11.100 90 90 120 P31m |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn1 .8312 0 .9950 0.0167 0.0167 0.0431 0.0117 0.0129 0.0129 |
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Mn2 .5002 .3284 .9878 0.0088 0.0066 0.0130 0.0039 -.0016 -.0002 |
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Sb .34355 0 .99100 0.0072 0.0072 0.0060 0.0028 -.0009 -.0009 |
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O1 0 0 .0776 0.015 0.015 0.008 0.0075 0 0 |
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O2 2/3 1/3 .0812 0.006 0.006 0.003 0.003 0 0 |
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O3 .4947 0 .0821 0.006 0.006 0.010 -0.003 0.000 0.000 |
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O4 .3458 .1449 .0850 0.009 0.011 0.013 0.007 0.001 -0.001 |
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O5 .1923 0 .9015 0.018 0.018 0.012 0.007 0.000 0.000 |
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O6 .6696 0 .8975 0.015 0.015 0.014 0.008 -0.001 -0.001 |
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O7 .4879 .1489 .8960 0.012 0.015 0.006 0.007 0.002 -0.001 |
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Mn3 .5272 0 .2561 -.0002 -.0002 0.0062 -.0023 -.0005 -.0005 |
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Mn4 .3297 .1550 .2593 0.0062 0.0009 0.0055 0.0030 0.0004 0.0009 |
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Si1 0 0 .2286 0.008 0.008 0.004 0.004 0 0 |
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Si2 2/3 1/3 .2319 0.004 0.004 0.018 0.002 0 0 |
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O8 .1317 0 .2792 0.007 0.007 0.012 0.002 0.004 0.004 |
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O9 .3587 0 .2887 0.000 0.000 0.003 -0.001 .000 0.000 |
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O10 .6996 0 .2259 0.004 0.004 0.016 0.005 0.005 0.005 |
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O11 .5441 0 .4348 0.003 0.003 0.016 0.001 -0.001 -0.001 |
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O12 .5342 .3291 .2821 0.005 0.010 0.003 0.005 0.003 -0.001 |
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O13 .3252 .1841 .4355 0.006 0.007 0.011 0.002 -0.001 0.000 |
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Mn5 .3396 0 .4922 0.0114 0.0114 0.0086 0.007 .000 0.000 |
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Mn6 .8363 0 .4995 0.0073 0.0073 0.0145 0.004 0.002 0.002 |
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Mn7 .4948 .3252 .4862 0.0066 0.0059 0.0097 0.0029 -.0015 -.0007 |
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O14 .1388 0 .5605 0.021 0.021 0.006 0.011 0.001 0.001 |
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O15 .3308 0 .6921 0.052 0.052 0.015 0.027 -0.008 -0.008 |
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O16 .7946 0 .7031 0.087 0.087 0.049 0.072 .000 0.000 |
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O17 .5293 .1929 .5424 0.014 0.010 0.008 0.008 0.003 0.000 |
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O18 .4419 .3127 .6940 0.148 0.216 0.042 0.152 0.019 0.024 |
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Mn8 .1670 0 .7324 0.0343 0.0343 0.0050 0.0282 0.0005 0.0005 |
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Mn9 .5041 .1674 .7212 0.0241 0.0263 0.0081 0.0191 0.0017 0.0019 |
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Si3 .6680 0 .7529 0.009 0.009 0.006 0.004 -0.001 -0.001 |
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O19 2/3 1/3 .7551 0.060 0.060 0.003 0.030 0 0 |
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O20 0 0 .7749 0.242 0.242 -.010 0.121 0 0 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Langbanite |
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Giuseppetti G, Mazzi F, Tadini C |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 193-211 |
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The crystal structure of monoclinic langbanite: |
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(Mn,Ca,Fe,Mg)2+4(Mn,Fe)3+9Sb5+[O16(SiO4)2] |
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Locality: Langban, Sweden |
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_database_code_amcsd 0014850 |
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11.561 20.05 11.075 90 90.03 90 C2/m |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sba 0 0 0 .38 .00467 .00503 .00469 0 -.00149 0 |
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Sbb 0 .3254 0 .36 .00358 .00550 .00468 0 -.00155 0 |
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Mn1a .5 0 0 .57 2.43 .02301 .01190 .05750 0 .02853 0 |
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Ca1a .5 0 0 .43 2.43 .02301 .01190 .05750 0 .02853 0 |
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Mn1b .5 .337 0 .96 .64 .00584 .00693 .01143 0 .00057 0 |
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Mg1b .5 .337 0 .04 .64 .00584 .00693 .01143 0 .00057 0 |
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Mn1c .25 .25 0 .97 .63 .00527 .00766 .01099 .00033 -.00214 -.00090 |
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Mg1c .25 .25 0 .03 .63 .00527 .00766 .01099 .00033 -.00214 -.00090 |
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Mn1d .2509 .0857 .0053 .91 .93 .00760 .01019 .01761 -.00082 -.00469 .00480 |
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Ca1d .2509 .0857 .0053 .09 .93 .00760 .01019 .01761 -.00082 -.00469 .00480 |
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Mn2a .8103 0 .2605 .77 .50 .00639 .00717 .00529 0 -.00067 0 |
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Fe2a .8103 0 .2605 .23 .50 .00639 .00717 .00529 0 -.00067 0 |
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Mn2b .8404 .3333 .2700 .82 .45 .00395 .00799 .00524 .00043 -.00145 .00025 |
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Fe2b .8404 .3333 .2700 .18 .45 .00395 .00799 .00524 .00043 -.00145 .00025 |
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Mn2c .0831 .0785 .2702 .61 .48 .00576 .00683 .00563 -.00059 -.00144 .00003 |
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Fe2c .0831 .0785 .2702 .39 .48 .00576 .00683 .00563 -.00059 -.00144 .00003 |
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Mn2d .0938 .2374 .2675 .72 .49 .00513 .00762 .00585 .00001 -.00174 .00019 |
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Fe2d .0938 .2374 .2675 .28 .49 .00513 .00762 .00585 .00001 -.00174 .00019 |
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Mn2e .0758 .413 .2626 .60 .45 .00534 .00660 .00528 -.00040 -.00173 -.00025 |
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Fe2e .0758 .413 .2626 .40 .45 .00534 .00660 .00528 -.00040 -.00173 -.00025 |
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Mn3a .5 0 .5 .91 .66 .00598 .00607 .01309 0 .00294 0 |
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Fe3a .5 0 .5 .09 .66 .00598 .00607 .01309 0 .00294 0 |
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Mn3b .5 .3389 .5 .87 .48 .00363 .00546 .00899 0 .00008 0 |
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Fe3b .5 .3389 .5 .13 .48 .00363 .00546 .00899 0 .00008 0 |
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Mn3c .25 .25 .5 .99 .46 .00314 .00552 .00884 .00042 -.00243 -.00147 |
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Fe3c .25 .25 .5 .01 .46 .00314 .00552 .00884 .00042 -.00243 -.00147 |
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Mn3d .2564 .0836 .5093 .99 .47 .00361 .00568 .00861 -.00007 -.00267 .00155 |
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Fe3d .2564 .0836 .5093 .01 .47 .00361 .00568 .00861 -.00007 -.00267 .00155 |
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Mn4a 0 0 .5 .94 .71 .01218 .00731 .00730 0 -.00008 0 |
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Fe4a 0 0 .5 .06 .71 .01218 .00731 .00730 0 -.00008 0 |
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Mn4b 0 .3285 .5 .92 .67 .00601 .01147 .00790 0 -.00170 0 |
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Fe4b 0 .3285 .5 .08 .67 .00601 .01147 .00790 0 -.00170 0 |
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Sia .3323 0 .2383 .57 .00732 .00784 .00661 0 -.00354 0 |
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Sib .3327 .3342 .2393 .46 .00473 .00731 .00545 -.00014 -.00106 -.00023 |
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O1a .3330 0 .0904 .96 .01490 .01360 .00800 0 -.00011 0 |
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O1b .3327 .3341 .0911 .65 .00794 .00949 .00736 .00095 -.00125 .00045 |
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O2a .8453 0 .0894 .72 .00600 .01220 .00900 0 -.00033 0 |
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O2b .8550 .3261 .0955 .67 .00408 .01418 .00716 -.00062 .00171 -.00125 |
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O2c .0690 .0734 .0948 .70 .01131 .00791 .00731 -.00095 -.00058 -.00093 |
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O2d .0776 .2510 .0925 .63 .00866 .00723 .00807 .00228 -.00318 .00132 |
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O2e .0766 .3982 .0915 .72 .01100 .00966 .00656 -.00371 -.00120 -.00269 |
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O3a .6329 0 .2208 1.11 .02230 .00670 .01320 0 .00140 0 |
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O3b .6817 .3478 .2383 .88 .00871 .01165 .01302 .00228 -.00332 -.00119 |
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O4a .2018 0 .2852 1.50 .01070 .02100 .02520 0 .00430 0 |
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O4b .4634 .3376 .2913 1.00 .00734 .02070 .00993 -.00076 -.00534 .00195 |
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O4c .3971 .0651 .2891 1.48 .01830 .01350 .02450 -.00235 -.00645 -.00637 |
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O4d .2708 .2680 .2918 1.12 .01800 .01114 .01360 -.00379 .00346 .00273 |
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O4e .2633 .3982 .2897 1.10 .01600 .01312 .01260 .00512 .00074 -.00295 |
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O5a -.0219 0 .2985 .66 .00570 .01050 .00870 0 .00058 0 |
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O5b .0096 .3213 .2978 .68 .00797 .00888 .00881 .00039 -.00100 -.00018 |
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O6a .7894 0 .4365 .59 .00880 .00590 .00780 0 -.00334 0 |
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O6b .8117 .3343 .4475 .49 .00550 .00607 .00706 -.00007 -.00078 .00060 |
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O6c .1019 .0921 .4487 .56 .00274 .00913 .00939 .00009 -.00091 -.00106 |
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O6d .0997 .2294 .4472 .66 .00586 .00613 .01325 -.00285 -.00429 -.00023 |
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O6e .0900 .4300 .4354 .55 .00517 .00876 .00697 -.00028 .00194 -.00161 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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