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Ferrosilite |
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Burnham C W, Ohashi Y, Hafner S S, Virgo D |
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American Mineralogist 56 (1971) 850-876 |
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Cation distribution and atomic thermal vibrations in an iron-rich orthopyroxene |
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18.405 9.0338 5.2390 90 90 90 Pbca |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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SiA .27194 .33944 .04905 .00022 .00158 .00366 -.00008 .00007 -.00012 |
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SiB .47343 .33490 .79113 .00026 .00159 .00364 .00008 0 .00014 |
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Fe1 .37566 .65424 .87451 .75 .00043 .00192 .00506 -.00001 -.00010 -.00012 |
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Mg1 .37566 .65424 .87451 .25 .00043 .00192 .00506 -.00001 -.00010 -.00012 |
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Fe2 .37795 .48456 .36682 .96 .00060 .00288 .00646 -.00012 -.00046 .00013 |
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Ca2 .37795 .48456 .36682 .04 .00060 .00288 .00646 -.00012 -.00046 .00013 |
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O1a .18427 .33889 .03899 .00022 .00194 .00567 0 .00010 -.00025 |
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O2a .31130 .49661 .05755 .00047 .00157 .00513 -.00016 -.00010 -.00015 |
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O3a .30229 .23575 -.18414 .00032 .00301 .00455 -.00004 .00004 -.00106 |
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O1b .56154 .33620 .78991 .00024 .00227 .00662 0 -.00001 .00023 |
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O2b .43335 .48202 .69459 .00053 .00203 .00612 .00025 .00041 .00051 |
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O3b .44735 .20274 .58737 .00037 .00259 .00569 -.00014 .00017 -.00113 |
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Ferrosilite |
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Smyth J R |
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American Mineralogist 58 (1973) 636-648 |
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An orthopyroxene structure up to 850 C |
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T = 20 C |
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18.337 8.971 5.232 90 90 90 Pbca |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Sia .27182 .33967 .05188 .00033 .00153 .00520 -.00007 .00028 -.00038 |
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Sib .47391 .33560 .79182 .00029 .00167 .00450 .00005 -.00002 .00025 |
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Mg1 .37546 .65459 .87652 .574 .00041 .00164 .00477 .00000 -.00011 .00002 |
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Fe1 .37546 .65459 .87652 .425 .00041 .00164 .00477 .00000 -.00011 .00002 |
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Fe2 .37779 .48398 .39643 .906 .00041 .00223 .00529 -.00010 -.00052 .00011 |
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Mg2 .37779 .48398 .39643 .062 .00041 .00223 .00529 -.00010 -.00052 .00011 |
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Ca2 .37779 .48398 .39643 .032 .00041 .00223 .00529 -.00010 -.00052 .00011 |
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O1a .18380 .33760 .0441 .00024 .00166 .00648 -.00001 -.00010 -.00011 |
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O2a .31130 .49910 .0570 .00062 .00165 .00763 -.00022 -.00020 .00030 |
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O3a .30230 .23470 -.1790 .00033 .00312 .00572 -.00029 .00012 -.00219 |
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O1b .56230 .33610 .7910 .00025 .00238 .00475 -.00001 -.00021 .00037 |
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O2b .43400 .48420 .6965 .00037 .00239 .00701 .00001 .00038 .00059 |
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O3b .44750 .20340 .5880 .00030 .00338 .00368 .00031 -.00024 -.00104 |
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Ferrosilite |
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Smyth J R |
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American Mineralogist 58 (1973) 636-648 |
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An orthopyroxene structure up to 850 C |
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T = 175 C |
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note temperature factors for O1b appear incorrect |
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18.364 8.988 5.238 90 90 90 Pbca |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg1 .3754 .6543 .8783 .596 .000583 .002701 .006714 -.000084 -.000135 -.000074 |
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Fe1 .3754 .6543 .8783 .403 .000583 .002701 .006714 -.000084 -.000135 -.000074 |
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Fe2 .3777 .4844 .3715 .929 .000782 .003912 .008992 -.000065 -.000789 .000043 |
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Mg2 .3777 .4844 .3715 .039 .000782 .003912 .008992 -.000065 -.000789 .000043 |
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Ca2 .3777 .4844 .3715 .032 .000782 .003912 .008992 -.000065 -.000789 .000043 |
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Sia .2719 .3399 .0531 .000574 .002443 .008864 .000000 .000000 .000000 |
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Sib .4740 .3356 .7917 .000669 .002702 .007043 -.000013 .000015 .000060 |
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O1a .1834 .3374 .0454 .000724 .002893 .005861 -.000069 -.000110 -.000679 |
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O2a .3114 .4980 .0616 .000777 .004073 .006437 -.000204 -.000125 -.001810 |
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O3a .3025 .2353 -.1807 .000704 .005738 .011852 -.000807 .000111 .001840 |
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O1b .5623 .3363 .7879 .000347 .003320 .006454 -.000225 -.000055 -.000378 |
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O2b .4341 .4847 .6994 .000622 .004195 .006941 .000042 .000881 -.000909 |
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O3b .4477 .2043 .5858 .000469 .004462 .012470 -.000278 -.000202 -.002190 |
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View JMOL 3-D Structure
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Ferrosilite |
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Smyth J R |
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American Mineralogist 58 (1973) 636-648 |
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An orthopyroxene structure up to 850 C |
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T = 280 C |
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18.371 9 5.242 90 90 90 Pbca |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Sia .2720 .3394 .0542 .00057 .00338 .00980 .00001 .00016 -.00020 |
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Sib .4741 .3358 .7907 .00074 .00334 .00874 .00008 .00008 .00029 |
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Mg1 .3753 .6540 .8799 .594 .00064 .00376 .00813 -.00008 -.00038 .00017 |
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Fe1 .3753 .6540 .8799 .406 .00064 .00376 .00813 -.00008 -.00038 .00017 |
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Fe2 .3776 .4848 .3738 .925 .00092 .00499 .01151 -.00017 -.00113 .00019 |
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Mg2 .3776 .4848 .3738 .042 .00092 .00499 .01151 -.00017 -.00113 .00019 |
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Ca2 .3776 .4848 .3738 .032 .00092 .00499 .01151 -.00017 -.00113 .00019 |
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O1a .1832 .3376 .0476 .00072 .00360 .00794 -.00039 -.00053 -.00055 |
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O2a .3116 .4967 .0634 .00095 .00488 .00938 .00028 .00033 -.00282 |
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O3a .3024 .2367 -.1805 .00071 .00615 .01464 -.00084 -.00045 .00240 |
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O1b .5624 .3366 .7867 .00089 .00374 .00902 -.00015 -.00063 -.00038 |
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O2b .4342 .4845 .6997 .00080 .00392 .00720 .00004 .00121 -.00224 |
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O3b .4477 .2059 .5831 .00055 .00545 .01367 -.00001 -.00062 -.00149 |
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View JMOL 3-D Structure
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Ferrosilite |
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Smyth J R |
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American Mineralogist 58 (1973) 636-648 |
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An orthopyroxene structure up to 850 C |
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T = 500 C |
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18.429 9.028 5.26 90 90 90 Pbca |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Sia .2719 .3392 .0572 .00074 .00458 .01369 -.00007 .00025 -.00033 |
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Sib .4745 .3362 .7874 .00100 .00418 .01132 .00005 .00012 .00013 |
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Mg1 .3752 .6532 .8841 .576 .00095 .00539 .01186 -.00012 -.00038 -.00022 |
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Fe1 .3752 .6532 .8841 .423 .00095 .00539 .01186 -.00012 -.00038 -.00022 |
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Fe2 .3772 .4850 .3777 .909 .00148 .00680 .01561 -.00021 -.00163 .00032 |
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Mg2 .3772 .4850 .3777 .059 .00148 .00680 .01561 -.00021 -.00163 .00032 |
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Ca2 .3772 .4850 .3777 .032 .00148 .00680 .01561 -.00021 -.00163 .00032 |
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O1a .1841 .3377 .0522 .00085 .00521 .00883 .00010 -.00020 -.00048 |
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O2a .3120 .4952 .0684 .00149 .00484 .01783 .00086 -.00002 -.00357 |
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O3a .3019 .2374 -.1778 .00094 .01010 .01835 -.00142 -.00009 .00258 |
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O1b .5627 .3384 .7859 .00133 .00551 .00957 -.00010 -.00081 -.00031 |
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O2b .4345 .4831 .7031 .00134 .00515 .01200 -.00017 .00099 -.00159 |
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O3b .4481 .2112 .5757 .00068 .00886 .01946 -.00027 -.00055 -.00373 |
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View JMOL 3-D Structure
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| |
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Ferrosilite |
|
Smyth J R |
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American Mineralogist 58 (1973) 636-648 |
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An orthopyroxene structure up to 850 C |
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T = 700 C |
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18.483 9.053 5.28 90 90 90 Pbca |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Sia .2723 .3389 .0604 .00107 .00544 .01490 -.00018 .00013 -.00064 |
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Sib .4749 .3365 .7833 .00119 .00726 .01101 -.00080 -.00077 -.00047 |
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Mg1 .3746 .6520 .8879 .512 .00145 .00655 .01393 -.00011 -.00048 -.00026 |
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Fe1 .3746 .6520 .8879 .488 .00145 .00655 .01393 -.00011 -.00048 -.00026 |
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Fe2 .3769 .4860 .3832 .844 .00212 .00900 .02084 -.00036 -.00201 .00092 |
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Mg2 .3769 .4860 .3832 .124 .00212 .00900 .02084 -.00036 -.00201 .00092 |
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Ca2 .3769 .4860 .3832 .032 .00212 .00900 .02084 -.00036 -.00201 .00092 |
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O1a .1841 .3377 .0578 .00230 .00342 .01129 .00264 .00114 -.00065 |
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O2a .3124 .4945 .0730 .00215 .00688 .01747 .00088 .00121 -.00257 |
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O3a .3007 .2380 -.1765 .00122 .01228 .02477 -.00061 -.00063 .00560 |
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O1b .5617 .3400 .7810 .00175 .00659 .01157 .00014 .00000 -.00094 |
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O2b .4345 .4843 .7045 .00182 .00739 .01837 .00059 .00160 .00026 |
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O3b .4494 .2152 .5672 .00113 .01159 .02200 -.00038 -.00004 -.00287 |
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View JMOL 3-D Structure
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| |
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Ferrosilite |
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Smyth J R |
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American Mineralogist 58 (1973) 636-648 |
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An orthopyroxene structure up to 850 C |
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T = 850 C |
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18.546 9.081 5.298 90 90 90 Pbca |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg1 .3746 .6514 .8919 .493 .00044 .00921 .01838 -.00031 -.00084 .00058 |
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Fe1 .3746 .6514 .8919 .507 .00044 .00921 .01838 -.00031 -.00084 .00058 |
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Fe2 .3767 .4856 .3905 .143 .00166 .01238 .02322 -.00024 -.00251 .00166 |
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Mg2 .3767 .4856 .3905 .825 .00166 .01238 .02322 -.00024 -.00251 .00166 |
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Ca2 .3767 .4856 .3905 .032 .00166 .01238 .02322 -.00024 -.00251 .00166 |
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Sia .2720 .3389 .0644 .00095 .00846 .01348 .00010 -.00060 -.00024 |
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Sib .4750 .3372 .7784 .00076 .00830 .01581 .00065 -.00001 .00083 |
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O1a .1841 .3374 .0550 4.17 |
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O2a .3126 .4950 .0773 3.13 |
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O3a .2987 .2394 -.1724 3.11 |
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O1b .5621 .3410 .7746 .00301 .01551 .02317 .00145 -.00388 .00171 |
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O2b .4348 .4844 .7133 3.08 |
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O3b .4504 .2228 .5529 3.49 |
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Ferrosilite |
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Ohashi Y, Burnham C W, Finger L W |
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American Mineralogist 60 (1975) 423-434 |
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The effect of Ca-Fe substitution on the clinopyroxene crystal structure |
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Fs65Wo35 |
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9.812 9.049 5.233 90 105.3 90 C2/c |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .2901 .0910 .23700 .41 .0014 .0012 .0038 -.0002 .0011 -.0005 |
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Fe 0 .9064 .25 .44 .0017 .0010 .0038 0 .0008 0 |
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Fe1 0 .2908 .25 .3 1.31 .0025 .0074 .0050 0 .0001 0 |
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Ca1 0 .2908 .25 .7 1.31 .0025 .0074 .0050 0 .0001 0 |
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O1 .1207 .0895 .15260 .63 .0021 .0018 .0056 .0003 .0011 .0002 |
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O2 .3658 .2448 .33170 1.10 .0039 .0023 .0134 -.0013 .0039 -.0022 |
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O3 .3505 .0222 -.0055 .70 .0018 .0030 .0049 0 .0008 -.0014 |
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Ferrosilite |
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Ohashi Y, Burnham C W, Finger L W |
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American Mineralogist 60 (1975) 423-434 |
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The effect of Ca-Fe substitution on the clinopyroxene crystal structure |
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Fs75Wo25 |
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9.781 9.072 5.246 90 106.6 90 C2/c |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 0 .9047 .25 .80 .0018 .0019 .0103 -.0001 .0019 0 |
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Fe2 0 .2747 .25 .5 1.85 .0019 .0024 .0091 0 .0012 0 |
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Ca 0 .2747 .25 .5 1.85 .0026 .0100 .0105 0 -.0007 0 |
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Si .2936 .0898 .24340 .75 .0026 .0100 .0105 0 -.0007 0 |
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O1 .1207 .0893 .15170 .82 .0020 .0023 .0113 .0001 .0024 -.0025 |
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O2 .3706 .2426 .34960 1.75 .0036 .0024 .0355 -.0006 .0070 -.0012 |
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O3 .3520 .0255 -.0043 1.26 .0021 .0058 .0111 .0007 .0013 -.0029 |
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Ferrosilite |
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Ohashi Y, Burnham C W, Finger L W |
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American Mineralogist 60 (1975) 423-434 |
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The effect of Ca-Fe substitution on the clinopyroxene crystal structure |
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Fs80Wo20 |
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9.760 9.057 5.234 90 106.3 90 C2/c |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 0 .9050 .25 .64 .00100 .00154 .01059 0 .00111 0 |
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Fe2 0 .2751 .25 .6 1.78 .00326 .01051 .01000 0 .00388 0 |
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Ca 0 .2751 .25 .4 1.78 .00326 .01051 .01000 0 .00388 0 |
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Si .2937 .0891 .2440 .65 .00065 .00166 .01088 .00021 .00049 -.00090 |
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O1 .1214 .0893 .1535 .78 .00056 .00237 .01167 -.00035 .00172 -.00023 |
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O2 .3712 .2417 .3480 1.53 .00180 .00251 .02750 .00086 -.00033 -.00482 |
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O3 .3517 .0261 -.002 1.14 .00123 .00561 .01095 -.00126 .00084 -.00317 |
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| Download AMC data (View Text File)
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Ferrosilite |
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Ohashi Y, Burnham C W, Finger L W |
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American Mineralogist 60 (1975) 423-434 |
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The effect of Ca-Fe substitution on the clinopyroxene crystal structure |
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Fs85Wo15 |
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9.779 9.088 5.258 90 107.39 90 P2_1/c |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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SiA .0461 .3387 .2569 .0012 .0028 .0083 .0003 .0009 -.0008 |
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SiB .5455 .8373 .2436 .0021 .0014 .0078 -.0007 .0020 -.0007 |
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Fe1 .2512 .6543 .2454 .0018 .0022 .0067 .0002 .0012 .0002 |
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Fe2 .2534 .0182 .2443 .7 .0020 .0082 .0079 -.0001 -.0001 .0007 |
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Ca2 .2534 .0182 .2443 .3 .0020 .0082 .0079 -.0001 -.0001 .0007 |
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O1a .8729 .3407 .1601 .0013 .0021 .0048 .0000 -.0008 .0002 |
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O2a .1182 .4948 .3423 .0055 .0041 .0232 .0001 .0076 -.0005 |
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O3a .1002 .2299 .5172 .0006 .0106 .0193 .0012 .0001 .0105 |
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O1b .3719 .8360 .1499 .0023 .0035 .0103 .0000 .0026 -.0010 |
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O2b .6280 .9873 .3656 .0017 .0017 .0192 -.0019 .0027 -.0035 |
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O3b .6038 .7192 .4983 .0026 .0056 .0098 -.0007 .0041 .0015 |
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Ferrosilite |
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Sueno S, Cameron M, Prewitt C T |
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American Mineralogist 61 (1976) 38-53 |
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Orthoferrosilite: High-temperature crystal chemistry |
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T = 24 deg C |
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18.418 9.078 5.2366 90 90 90 Pbca |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 .37573 .65415 .8746 .00027 .00183 .00373 -.00001 -.00014 .00017 |
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Fe2 .37766 .48567 .3667 .00041 .00242 .00452 -.00013 -.00043 .00021 |
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Si1 .27229 .33870 .0493 .00022 .00216 .00349 .00000 -.00005 -.00002 |
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Si2 .4731 .33448 .7891 .00021 .00154 .00426 .00010 -.00013 -.00013 |
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O1 .1848 .3396 .0387 .00022 .00211 .00717 -.00011 -.00027 .00064 |
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O2 .3118 .4964 .0582 .00064 .00216 .00434 -.00030 -.00043 .00106 |
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O3 .3025 .2363 .8163 .00035 .00312 .00539 .00017 -.00030 -.00144 |
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O4 .5610 .3365 .7868 .00030 .00306 .00652 -.00035 -.00063 .00022 |
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O5 .4332 .4806 .6932 .00053 .00227 .00541 .00029 .00010 .00036 |
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O6 .4476 .2028 .5865 .00042 .00259 .00332 .00005 .00006 -.00049 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ferrosilite |
|
Sueno S, Cameron M, Prewitt C T |
|
American Mineralogist 61 (1976) 38-53 |
|
Orthoferrosilite: High-temperature crystal chemistry |
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T = 400 deg C |
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18.484 9.124 5.2593 90 90 90 Pbca |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 .37554 .65283 .8823 .00077 .00382 .00839 -.00008 -.00031 .00017 |
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Fe2 .37724 .48683 .3748 .00106 .00522 .01136 -.00021 -.00118 .00058 |
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Si1 .27223 .3384 .0562 .00051 .00358 .00637 -.00023 .00010 -.00007 |
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Si2 .47356 .3348 .7862 .00043 .00315 .00758 .00002 -.00022 .00047 |
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O1A .1852 .3386 .0490 .00048 .00478 .01160 -.00011 -.00013 -.00067 |
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O2A .3113 .4951 .0695 .00095 .00398 .01225 -.00063 -.00020 .00053 |
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O3A .3022 .2406 .8204 .00067 .00736 .00882 .00008 -.00037 -.00367 |
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O1B .5613 .3380 .7838 .00043 .00511 .01233 -.00012 -.00025 .00003 |
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O2B .4334 .4806 .6965 .00103 .00421 .01138 .00088 -.00037 .00255 |
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O3B .4481 .2073 .5782 .00094 .00487 .00785 -.00010 .00034 -.00285 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ferrosilite |
|
Sueno S, Cameron M, Prewitt C T |
|
American Mineralogist 61 (1976) 38-53 |
|
Orthoferrosilite: High-temperature crystal chemistry |
|
T = 600 deg C |
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18.527 9.145 5.2756 90 90 90 Pbca |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 .37517 .65204 .8869 .00102 .00501 .01093 .00009 -.00052 .00033 |
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Fe2 .37714 .48760 .3805 .00138 .00709 .01562 -.00022 -.00153 .00066 |
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Si1 .27247 .3376 .0598 .00067 .00423 .00843 -.00026 -.00001 -.00052 |
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Si2 .47411 .3350 .7827 .00064 .00425 .00868 .00018 -.00030 -.00041 |
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O1A .1854 .3393 .0532 .00067 .00557 .01413 -.00015 .00005 -.00016 |
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O2A .3112 .4932 .0756 .00172 .00479 .01616 -.00081 -.00026 .00024 |
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O3A .3014 .2434 .8192 .00080 .00876 .01239 .00000 -.00030 -.00642 |
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O1B .5613 .3379 .7812 .00084 .00734 .01387 -.00062 -.00031 .00061 |
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O2B .4340 .4825 .7011 .00147 .00478 .01566 .00096 -.00066 .00118 |
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O3B .4487 .2100 .5719 .00117 .00662 .01291 -.00055 .00088 -.00257 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ferrosilite |
|
Sueno S, Cameron M, Prewitt C T |
|
American Mineralogist 61 (1976) 38-53 |
|
Orthoferrosilite: High-temperature crystal chemistry |
|
T = 800 deg C |
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18.569 9.16 5.2974 90 90 90 Pbca |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 .37499 .6513 .8926 .00133 .00617 .01322 .00014 -.00064 .00052 |
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Fe2 .37666 .4885 .3879 .00180 .00884 .01937 -.00028 -.00192 .00032 |
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Si1 .27259 .3369 .0644 .00073 .00535 .01049 -.00026 -.00001 -.00110 |
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Si2 .47462 .3358 .7783 .00081 .00474 .01161 .00025 -.00041 .00089 |
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O1A .1855 .3390 .0605 .00066 .00840 .01380 -.00035 .00111 .00112 |
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O2A .3115 .4926 .0832 .00168 .00671 .02059 -.00084 -.00040 .00013 |
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O3A .3011 .2450 .8227 .00104 .01293 .01406 .00010 .00061 -.00730 |
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O1B .5617 .3392 .7771 .00069 .00809 .01930 -.00057 -.00044 -.00053 |
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O2B .4339 .4832 .7064 .00179 .00663 .01772 .00151 -.00012 .00199 |
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O3B .4488 .2167 .5604 .00138 .00934 .01916 -.00072 .00075 -.00654 |
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Ferrosilite |
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Sueno S, Cameron M, Prewitt C T |
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American Mineralogist 61 (1976) 38-53 |
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Orthoferrosilite: High-temperature crystal chemistry |
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T = 900 deg C |
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18.596 9.1685 5.3113 90 90 90 Pbca |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 .37492 .6510 .8968 .00141 .00695 .01476 .00007 -.00080 -.00020 |
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Fe2 .37641 .4886 .3926 .00202 .00967 .02152 -.00021 -.00212 .00074 |
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Si1 .27267 .3371 .0675 .00081 .00588 .01284 -.00024 .00001 -.00065 |
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Si2 .47520 .3358 .7742 .00088 .00525 .01317 .00021 -.00054 .00080 |
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O1A .1856 .3386 .0648 .00098 .00901 .01826 -.00050 .00007 .00083 |
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O2A .3115 .4917 .0856 .00234 .00628 .02011 -.00113 -.00057 -.00051 |
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O3A .3013 .2470 .8239 .00102 .01334 .01542 .00017 -.00056 -.00719 |
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O1B .5622 .3396 .7731 .00098 .00858 .02088 -.00087 -.00069 -.00132 |
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O2B .4342 .4846 .7077 .00206 .00690 .01889 .00160 -.00032 .00234 |
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O3B .4500 .2189 .5521 .00160 .01125 .01886 -.00081 .00041 -.00592 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ferrosilite |
|
Sueno S, Cameron M, Prewitt C T |
|
American Mineralogist 61 (1976) 38-53 |
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Orthoferrosilite: High-temperature crystal chemistry |
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T = 980 deg C |
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18.614 9.172 5.3199 90 90 90 Pbca |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 .37467 .6505 .8992 .00162 .00800 .01652 .00004 -.00085 .00034 |
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Fe2 .37637 .4886 .3964 .00222 .01090 .02556 -.00048 -.00261 .00000 |
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Si1 .2729 .3374 .0695 .00098 .00669 .01154 -.00015 .00014 -.00154 |
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Si2 .4755 .3353 .7725 .00099 .00590 .01555 .00013 -.00054 .00120 |
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O1A .1862 .3394 .0669 .00093 .00969 .01998 -.00017 .00033 .00161 |
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O2A .3120 .4910 .0921 .00219 .00733 .02027 -.00136 .00024 -.00070 |
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O3A .3005 .2491 .8225 .00120 .01401 .02005 .00034 -.00035 -.01087 |
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O1B .5623 .3401 .7727 .00137 .00921 .02172 -.00064 -.00075 .00015 |
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O2B .4348 .4847 .7117 .00272 .00895 .02283 .00149 .00015 -.00015 |
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O3B .4493 .2229 .5455 .00184 .01421 .02248 -.00113 .00081 -.00548 |
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View JMOL 3-D Structure
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Ferrosilite |
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Hugh-Jones D A, Chopelas A, Angel R J |
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Physics and Chemistry of Minerals 24 (1997) 301-310 |
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Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes |
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Sample: P = 0 GPa |
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18.417 9.073 5.239 90 90 90 Pbca |
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atom x y z Biso |
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FeM1 .3758 .6539 .8741 .36 |
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FeM2 .3777 .4855 .3662 .54 |
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SiTA .2724 .3390 .0486 .29 |
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SiTB .4732 .3346 .7890 .22 |
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O1a .1847 .3340 .039 .47 |
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O2a .3119 .4961 .060 .52 |
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O3a .3023 .2360 .818 .58 |
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O1b .5611 .3374 .785 .35 |
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O2b .4330 .4804 .693 .55 |
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O3b .4477 .2027 .584 .48 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ferrosilite |
|
Hugh-Jones D A, Chopelas A, Angel R J |
| |
Physics and Chemistry of Minerals 24 (1997) 301-310 |
|
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes |
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Sample: P = .83 GPa |
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18.3988 9.0444 5.2245 90 90 90 Pbca |
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atom x y z Biso |
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FeM1 .3758 .6542 .8717 .53 |
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FeM2 .3779 .4843 .3638 .54 |
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SiTA .2721 .3396 .0466 .32 |
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SiTB .4733 .3350 .7904 .19 |
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O1a .1856 .342 .036 .32 |
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O2a .3118 .499 .058 .63 |
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O3a .3021 .234 .813 .34 |
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O1b .5611 .337 .787 .42 |
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O2b .4316 .480 .693 .41 |
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O3b .4467 .204 .590 .67 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ferrosilite |
|
Hugh-Jones D A, Chopelas A, Angel R J |
| |
Physics and Chemistry of Minerals 24 (1997) 301-310 |
|
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes |
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Sample: P = 1.71 GPa |
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18.370 9.006 5.2084 90 90 90 Pbca |
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atom x y z Biso |
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FeM1 .3760 .6555 .8692 .44 |
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FeM2 .3783 .4831 .3596 .45 |
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SiTA .2716 .3397 .0438 .24 |
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SiTB .4728 .3332 .7909 .21 |
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O1a .1859 .340 .031 .26 |
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O2a .3118 .500 .052 .77 |
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O3a .3016 .234 .810 .02 |
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O1b .5599 .336 .789 .68 |
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O2b .4329 .481 .691 .33 |
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O3b .4477 .199 .591 .12 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ferrosilite |
|
Hugh-Jones D A, Chopelas A, Angel R J |
| |
Physics and Chemistry of Minerals 24 (1997) 301-310 |
|
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes |
|
Sample: P = 2.84 GPa |
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18.341 8.966 5.1925 90 90 90 Pbca |
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atom x y z Biso |
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FeM1 .3757 .6559 .8660 .31 |
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FeM2 .3784 .4820 .3579 .35 |
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SiTA .2717 .3410 .0405 .20 |
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SiTB .4727 .3339 .7929 .24 |
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O1a .1848 .342 .029 .18 |
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O2a .3107 .501 .049 .42 |
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O3a .3022 .234 .807 .09 |
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O1b .5588 .335 .788 .17 |
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O2b .4334 .483 .686 .02 |
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O3b .4466 .197 .594 .08 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ferrosilite |
|
Hugh-Jones D A, Chopelas A, Angel R J |
| |
Physics and Chemistry of Minerals 24 (1997) 301-310 |
|
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes |
|
Sample: P = 3.65 GPa |
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18.311 8.939 5.181 90 90 90 Pbca |
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atom x y z Biso |
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FeM1 .3759 .6563 .8644 .44 |
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FeM2 .3787 .4812 .3557 .46 |
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SiTA .2715 .3418 .037 .28 |
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SiTB .4726 .3343 .7943 .32 |
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O1a .1839 .341 .029 .61 |
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O2a .3098 .502 .046 .53 |
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O3a .3025 .238 .804 .17 |
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O1b .5605 .337 .792 .67 |
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O2b .4329 .484 .686 .15 |
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O3b .4467 .197 .599 .30 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
|
| |
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