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Hydroxylclinohumite |
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Robinson K, Gibbs G V, Ribbe P H |
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American Mineralogist 58 (1973) 43-49 |
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The crystal structures of the humite minerals. IV. Clinohumite and |
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titanclinohumite |
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_database_code_amcsd 0000301 |
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4.7441 10.2501 13.6635 100.786 90 90 P2_1/b |
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atom x y z occ Biso |
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Mg1c .5 0 .5 .90 .41 |
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Fe1c .5 0 .5 .10 .41 |
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Mg1n .4977 .9463 .2738 .91 .41 |
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Fe1n .4977 .9463 .2738 .09 .41 |
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Mg25 .0101 .1398 .1703 .97 .41 |
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Fe25 .0101 .1398 .1703 .03 .41 |
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Mg26 .5101 .2503 .3888 .88 .42 |
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Fe26 .5101 .2503 .3888 .12 .42 |
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Mg3 .4939 .8780 .0428 .45 |
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Si1 .0741 .0663 .3891 .18 |
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Si2 .0759 .1771 .8354 .21 |
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O11 .7315 .0633 .3871 .37 |
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O12 .2832 .4211 .3877 .58 |
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O13 .2192 .1130 .2936 .42 |
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O14 .2188 .1586 .4853 .52 |
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O21 .2353 .3218 .1610 .54 |
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O22 .7802 .9483 .1619 .30 |
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O23 .7255 .2803 .2625 .34 |
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O24 .7296 .2262 .0699 .29 |
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OH .2629 .0453 .0558 .71 |
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| |
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Hydroxylclinohumite |
| |
Robinson K, Gibbs G V, Ribbe P H |
|
American Mineralogist 58 (1973) 43-49 |
|
The crystal structures of the humite minerals. IV. Clinohumite and |
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titanoclinohumite |
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_database_code_amcsd 0000302 |
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4.7451 10.288 13.709 101.00 90 90 P2_1/b |
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atom x y z occ Biso |
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Mg1c .5 0 .5 .86 .50 |
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Fe1c .5 0 .5 .09 .50 |
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Ti1c .5 0 .5 .05 .50 |
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Mg1n .4967 .9461 .2744 .84 .47 |
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Fe1n .4967 .9461 .2744 .10 .47 |
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Ti1n .4967 .9461 .2744 .06 .47 |
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Mg25 .0143 .1403 .1699 .85 .49 |
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Fe25 .0143 .1403 .1699 .10 .49 |
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Ti25 .0143 .1403 .1699 .05 .49 |
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Mg26 .5106 .2508 .3878 .85 .45 |
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Fe26 .5106 .2508 .3878 .10 .45 |
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Ti26 .5106 .2508 .3878 .05 .45 |
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Mg3 .4956 .8837 .0409 .75 .52 |
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Fe3 .4956 .8837 .0409 .20 .52 |
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Ti3 .4956 .8837 .0409 .05 .52 |
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Si1 .0727 .0667 .3900 .26 |
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Si2 .0762 .1764 .8351 .25 |
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O11 .7315 .0650 .3876 .72 |
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O12 .2811 .4207 .3870 .48 |
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O13 .2210 .1130 .2936 .48 |
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O14 .2188 .1594 .4859 .62 |
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O21 .2359 .3230 .1629 .46 |
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O22 .7785 .9680 .1630 .67 |
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O23 .7236 .2793 .2610 .58 |
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O34 .7247 .2294 .0679 .65 |
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OH .2565 .0439 .0540 .64 |
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Hydroxylclinohumite |
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Fujino K, Takeuchi Y |
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American Mineralogist 63 (1978) 535-543 |
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Crystal chemistry of titanian chondrodite and titanian clinohumite of |
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high-pressure origin |
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_database_code_amcsd 0000668 |
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4.745 10.283 13.699 101.00 90 90 P2_1/b |
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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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Mg1c .5 0 .5 .88 .00428 .00144 .00064 -.00011 -.00008 .00024 |
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Fe1c .5 0 .5 .10 .00428 .00144 .00064 -.00011 -.00008 .00024 |
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Ti1c .5 0 .5 .02 .00428 .00144 .00064 -.00011 -.00008 .00024 |
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Mg1n .49665 .94603 .27464 .87 .00500 .00140 .00061 .00013 .00029 .00000 |
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Fe1n .49665 .94603 .27464 .11 .00500 .00140 .00061 .00013 .00029 .00000 |
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Ti1n .49665 .94603 .27464 .02 .00500 .00140 .00061 .00013 .00029 .00000 |
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Mg25 .01510 .13976 .16975 .87 .00621 .00119 .00070 -.00006 -.00003 .00019 |
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Fe25 .01510 .13976 .16975 .13 .00621 .00119 .00070 -.00006 -.00003 .00019 |
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Mg26 .51051 .25040 .38777 .87 .00618 .00098 .00067 -.00013 -.00018 .00009 |
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Fe26 .51051 .25040 .38777 .13 .00618 .00098 .00067 -.00013 -.00018 .00009 |
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Mg3 .49488 .88433 .04094 .67 .00631 .00249 .00077 .00109 -.00041 -.00023 |
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Fe3 .49488 .88433 .04094 .15 .00631 .00249 .00077 .00109 -.00041 -.00023 |
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Ti3 .49488 .88433 .04094 .18 .00631 .00249 .00077 .00109 -.00041 -.00023 |
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Si1 .07266 .06676 .38979 .00316 .00106 .00064 -.00011 -.00005 .00015 |
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Si2 .07556 .17647 .83515 .00390 .00107 .00055 .00009 .00003 .00014 |
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O1 .73273 .06454 .38817 .00421 .00148 .00069 .00013 .00024 .00016 |
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O2 .28065 .42061 .38784 .00570 .00112 .00068 .00009 .00016 .00022 |
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O3 .22140 .11282 .29420 .00524 .00130 .00079 -.00007 -.00010 .00032 |
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O4 .22022 .15850 .48640 .00482 .00145 .00066 .00015 -.00001 -.00011 |
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O5 .23521 .32327 .16313 .00489 .00137 .00064 .00008 .00002 .00022 |
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O6 .77724 .96806 .16339 .00537 .00098 .00073 .00039 .00016 .00013 |
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O7 .72257 .27891 .26139 .00599 .00149 .00069 .00004 -.00039 .00036 |
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O8 .72554 .22876 .06896 .00720 .00138 .00070 -.00021 .00051 -.00002 |
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O9 .25717 .04469 .05356 .01123 .00222 .00087 .00014 .00116 .00001 |
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H .06 .022 .027 .57 |
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| |
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Hydroxylclinohumite |
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Berry A J, James M |
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American Mineralogist 86 (2001) 181-184 |
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Refinement of hydrogen positions in synthetic hydroxyl-clinohumite |
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by powder neutron diffraction |
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_database_code_amcsd 0002626 |
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4.7488 10.2875 13.6967 100.63 90 90 P2_1/b |
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atom x y z occ Biso |
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Mg1 .5 0 .5 .5 |
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Mg2 .495 .9480 .2735 .7 |
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Mg3 .003 .1440 .1711 .5 |
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Mg4 .504 .2523 .3872 .9 |
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Mg5 .492 .8770 .0443 .8 |
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Si1 .073 .0666 .3897 1.0 |
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Si2 .078 .1739 .8341 1.2 |
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O1 .733 .0647 .3892 1.0 |
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O2 .277 .4200 .3881 .9 |
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O3 .224 .1120 .2932 .6 |
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O4 .224 .1575 .4869 .8 |
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O5 .238 .3240 .1638 .4 |
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O6 .775 .9703 .1644 .7 |
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O7 .725 .2825 .2637 .7 |
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O8 .728 .2294 .0715 .8 |
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O9 .261 .0529 .0596 1.5 |
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D1 .098 .017 .008 .52 3.0 |
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D2 .418 .088 .115 .48 3.0 |
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| Download AMC data (View Text File)
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Hydroxylclinohumite |
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Friedrich A, Lager G A, Kunz M, Chakoumakos B C, Smyth J R, Schultz A J |
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American Mineralogist 86 (2001) 981-989 |
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Temperature-dependent single-crystal neutron diffraction study of natural |
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chondrodite and clinohumite |
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Sample from Val Malenco, Italy at T = 295 K |
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_database_code_amcsd 0002660 |
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4.7344 10.286 13.713 101.042 90 90 P2_1/b |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg(1)c .5 0 .5 .89 .0077 .0063 .0105 .0067 .00006 .00042 .0026 |
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Fe(1)c .5 0 .5 .11 .0077 .0063 .0105 .0067 .00006 .00042 .0026 |
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Mg(1)n .4965 .9459 .27458 .89 .0080 .0040 .0119 .0078 .00017 .00093 .0008 |
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Fe(1)n .4965 .9459 .27458 .11 .0080 .0040 .0119 .0078 .00017 .00093 .0008 |
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Mg(2)5 .0137 .1399 .16997 .92 .0078 .0065 .0095 .0081 .00007 .00027 .0029 |
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Fe(2)5 .0137 .1399 .16997 .08 .0078 .0065 .0095 .0081 .00007 .00027 .0029 |
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Mg(2)6 .5103 .2504 .38774 .91 .0078 .0065 .0084 .0087 .00043 .00029 .0018 |
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Fe(2)6 .5103 .2504 .38774 .09 .0078 .0065 .0084 .0087 .00043 .00029 .0018 |
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Mg(3) .4894 .8763 .0436 .65 .0066 .0059 .0065 .0091 .0020 .0005 .0052 |
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Fe(3) .4894 .8763 .0436 .12 .0066 .0059 .0065 .0091 .0020 .0005 .0052 |
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Ti(3) .4894 .8763 .0436 .227 .0066 .0059 .0065 .0091 .0020 .0005 .0052 |
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Si1 .0730 .0666 .3899 .0062 .0027 .0092 .0070 .0005 .0005 .0022 |
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Si2 .0757 .1765 .8349 .0063 .0031 .0085 .0074 .0002 .0005 .0013 |
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O1,1 .7332 .0644 .3883 .0082 .0051 .0108 .0087 .0002 .0002 .0015 |
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O1,2 .2805 .4204 .38773 .0073 .0048 .0086 .0089 .0001 .0001 .0025 |
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O1,3 .2220 .1129 .29424 .0080 .0048 .0115 .0086 .0000 .0007 .0039 |
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O1,4 .2205 .1588 .48682 .0083 .0064 .0099 .0081 .0001 .0001 .0006 |
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O2,1 .2355 .3233 .16345 .0078 .0037 .0109 .0092 .0004 .0004 .0028 |
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O2,2 .7774 .9680 .16351 .0082 .0061 .0091 .0100 .0004 .0002 .0028 |
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O2,3 .7234 .2792 .2614 .0087 .0061 .0113 .0097 .0002 .0002 .0045 |
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O2,4 .7245 .2285 .0692 .0090 .0068 .0111 .0084 .0003 .0013 .0001 |
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O(H) .2569 .0448 .0534 .0133 .0123 .0141 .0129 .0000 .0040 .0006 |
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H .081 .0124 .0115 .46 .0207 .0166 .0235 .0209 .0038 .0064 .0004 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Hydroxylclinohumite |
| |
Friedrich A, Lager G A, Kunz M, Chakoumakos B C, Smyth J R, Schultz A J |
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American Mineralogist 86 (2001) 981-989 |
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Temperature-dependent single-crystal neutron diffraction study of natural |
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chondrodite and clinohumite |
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Sample: from Val Malenco, Italy at T = 100 K |
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_database_code_amcsd 0002661 |
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4.7282 10.273 13.702 101.004 90 90 P2_1/b |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg(1)c .5 0 .5 .91 .0047 .0024 .0073 .0046 .0010 .0009 .0015 |
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Fe(1)c .5 0 .5 .09 .0047 .0024 .0073 .0046 .0010 .0009 .0015 |
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Mg(1)n .4961 .9458 .2747 .89 .0053 .0036 .0081 .0044 .0000 .0001 .0013 |
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Fe(1)n .4961 .9458 .2747 .11 .0053 .0036 .0081 .0044 .0000 .0001 .0013 |
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Mg(2)5 .0139 .1400 .1699 .92 .0052 .0039 .0064 .0055 .0001 .0002 .0015 |
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Fe(2)5 .0139 .1400 .1699 .08 .0052 .0039 .0064 .0055 .0001 .0002 .0015 |
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Mg(2)6 .5097 .2501 .3880 .91 .0055 .0028 .0075 .0060 .0008 .0002 .0010 |
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Fe(2)6 .5097 .2501 .3880 .09 .0055 .0028 .0075 .0060 .0008 .0002 .0010 |
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Mg(3) .4890 .8766 .0436 .65 .0040 .0048 .0025 .0053 .0013 .0007 .0019 |
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Fe(3) .4890 .8766 .0436 .13 .0040 .0048 .0025 .0053 .0013 .0007 .0019 |
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Ti(3) .4890 .8766 .0436 .227 .0040 .0048 .0025 .0053 .0013 .0007 .0019 |
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Si1 .0736 .0673 .3900 .0049 .0026 .0070 .0052 .0008 .0000 .0013 |
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Si2 .0760 .1764 .8351 .0048 .0027 .0070 .0044 .0003 .0001 .0002 |
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O1,1 .7322 .0645 .3882 .0057 .0027 .0090 .0053 .0002 .0000 .0015 |
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O1,2 .2801 .4203 .3879 .0063 .0048 .0069 .0075 .0004 .0010 .0020 |
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O1,3 .2224 .1126 .2941 .0061 .0041 .0088 .0055 .0003 .0007 .0016 |
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O1,4 .2212 .1585 .4866 .0060 .0032 .0085 .0060 .0009 .0003 .0005 |
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O2,1 .2352 .3237 .1634 .0064 .0031 .0093 .0068 .0005 .0003 .0017 |
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O2,2 .7769 .9683 .1632 .0061 .0043 .0081 .0063 .0000 .0002 .0020 |
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O2,3 .7233 .2791 .2616 .0064 .0034 .0096 .0070 .0001 .0002 .0036 |
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O2,4 .7256 .2281 .0691 .0068 .0056 .0079 .0068 .0001 .0018 .0005 |
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O(H) .2562 .0450 .0534 .0108 .0102 .0115 .0098 .0005 .0032 .0005 |
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H .082 .0114 .0110 .48 .0196 .0125 .0204 .0239 .0037 .0055 .0018 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Hydroxylclinohumite |
| |
Friedrich A, Lager G A, Kunz M, Chakoumakos B C, Smyth J R, Schultz A J |
|
American Mineralogist 86 (2001) 981-989 |
|
Temperature-dependent single-crystal neutron diffraction study of natural |
|
chondrodite and clinohumite |
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Sample: from Val Malenco, Italy at T = 20 K |
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_database_code_amcsd 0002662 |
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4.7313 10.274 13.695 101.029 90 90 P2_1/b |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg(1)c .5 0 .5 .91 .0044 .0026 .0068 .0042 .0003 .0001 .0017 |
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Fe(1)c .5 0 .5 .09 .0044 .0026 .0068 .0042 .0003 .0001 .0017 |
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Mg(1)n .4966 .9457 .2747 .89 .0045 .0013 .0070 .0050 .0002 .0002 .0008 |
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Fe(1)n .4966 .9457 .2747 .11 .0045 .0013 .0070 .0050 .0002 .0002 .0008 |
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Mg(2)5 .0145 .1403 .1700 .92 .0046 .0024 .0065 .0054 .0001 .0007 .0024 |
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Fe(2)5 .0145 .1403 .1700 .08 .0046 .0024 .0065 .0054 .0001 .0007 .0024 |
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Mg(2)6 .5095 .2495 .3879 .93 .0044 .0021 .0060 .0052 .0002 .0004 .0013 |
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Fe(2)6 .5095 .2495 .3879 .07 .0044 .0021 .0060 .0052 .0002 .0004 .0013 |
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Mg(3) .4890 .8766 .0437 .65 .0035 .0025 .0031 .0062 .0027 .0007 .0039 |
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Fe(3) .4890 .8766 .0437 .13 .0035 .0025 .0031 .0062 .0027 .0007 .0039 |
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Ti(3) .4890 .8766 .0437 .227 .0035 .0025 .0031 .0062 .0027 .0007 .0039 |
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Si1 .0736 .0670 .3900 .0046 .0025 .0064 .0055 .0001 .0005 .0024 |
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Si2 .0751 .1765 .8351 .0043 .0011 .0070 .0048 .0004 .0005 .0009 |
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O1,1 .7323 .0643 .3882 .0054 .0024 .0073 .0064 .0002 .0003 .0009 |
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O1,2 .2806 .4202 .3880 .0053 .0043 .0056 .0065 .0006 .0001 .0023 |
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O1,3 .2221 .1127 .2941 .0061 .0033 .0085 .0066 .0005 .0003 .0019 |
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O1,4 .2212 .1588 .4866 .0055 .0036 .0072 .0054 .0005 .0004 .0005 |
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O2,1 .2350 .3234 .1633 .0055 .0015 .0078 .0079 .0013 .0005 .0027 |
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O2,2 .7768 .9688 .1633 .0057 .0030 .0072 .0072 .0000 .0000 .0019 |
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O2,3 .7236 .2792 .2615 .0058 .0027 .0086 .0072 .0004 .0002 .0043 |
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O2,4 .7253 .2286 .0690 .0063 .0045 .0066 .0075 .0001 .0011 .0007 |
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O(H) .2563 .0450 .0534 .0107 .0095 .0121 .0103 .0005 .0034 .0011 |
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H1 .083 .0126 .0114 .47 .0188 .0154 .0213 .0191 .0020 .0083 .0018 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Hydroxylclinohumite |
| |
Kocman V, Rucklidge J C |
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The Canadian Mineralogist 12 (1973) 39-45 |
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The crystal structure of a titaniferous clinohumite |
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_database_code_amcsd 0005091 |
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4.753 10.269 13.724 100.90 90 90 P2_1/b |
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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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MgM1A .5 0 .5 .806 .00392 .00191 .00051 0 0 .00044 |
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FeM1A .5 0 .5 .194 .00392 .00191 .00051 0 0 .00044 |
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MgM1B .00294 .44596 .27424 .803 .00454 .00163 .00041 -.00009 -.00012 .00015 |
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FeM1B .00294 .44596 .27424 .197 .00454 .00163 .00041 -.00009 -.00012 .00015 |
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MgM25 .01258 .13989 .16997 .840 .00509 .00135 .00056 .00009 -.00003 .00033 |
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FeM25 .01258 .13989 .16997 .160 .00509 .00135 .00056 .00009 -.00003 .00033 |
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MgM26 .98872 .75089 .38792 .759 .00565 .00135 .00054 .00009 .00006 .00029 |
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FeM26 .98872 .75089 .38792 .241 .00565 .00135 .00054 .00009 .00006 .00029 |
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MgM3 .00599 .38156 .04182 .810 .00357 .00201 .00034 -.00064 .00028 -.00011 |
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TiM3 .00599 .38156 .04182 .13 .00357 .00201 .00034 -.00064 .00028 -.00011 |
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FeM3 .00599 .38156 .04182 .060 .00357 .00201 .00034 -.00064 .00028 -.00011 |
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Si1 .42699 .56673 .38952 .00159 .00103 .00022 .00004 -.00005 .00022 |
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Si2 .57563 .32317 .16460 .00175 .00095 .00022 .00006 .00007 .00019 |
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O11 .76733 .56471 .38786 .00431 .00183 .00058 -.00003 -.00023 .00033 |
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O12 .28089 .42086 .38774 .00603 .00106 .00080 -.00024 -.00030 .00024 |
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O13 .27872 .61312 .29395 .00518 .00214 .00067 -.00016 -.00008 .00054 |
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O14 .27941 .65899 .48633 .00486 .00158 .00080 .00039 .00017 .00001 |
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O21 .23539 .32279 .16273 .00411 .00178 .00071 -.00010 -.00003 .00050 |
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O22 .72116 .46805 .16273 .00677 .00163 .00067 -.00034 -.00026 .00034 |
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O23 .72219 .27913 .26181 .00587 .00220 .00063 .00031 .00020 .00059 |
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O24 .72579 .22776 .06969 .00651 .00179 .00073 -.00014 .00041 .00003 |
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OH .24213 .54469 .05394 .54 .00536 .00207 .00077 -.00025 -.00091 .00002 |
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O .24213 .54469 .05394 .26 .00536 .00207 .00077 -.00025 -.00091 .00002 |
|
F .24213 .54469 .05394 .20 .00536 .00207 .00077 -.00025 -.00091 .00002 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Total number of retrieved datasets: 