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Kaolinite |
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Gruner W |
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Zeitschrift fur Kristallographie 83 (1932) 75-88 |
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The crystal structure of kaolinite |
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_cod_database_code 1011045 |
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_database_code_amcsd 0017947 |
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5.148 8.92 14.535 90 100.2 90 Cc |
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atom x y z |
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Al1 .25 -.167 0 |
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Al2 .25 .167 0 |
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Si1 .008 .5 .188 |
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Si2 .008 .167 .188 |
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O1 -.046 .5 .076 |
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O2 -.046 .167 .076 |
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O3 -.046 -.167 .076 |
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O4 .033 .333 .229 |
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O5 .283 -.417 .229 |
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O6 .283 .083 .229 |
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O7 .046 0 .424 |
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O8 -.454 .167 .424 |
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O9 .046 .333 .424 |
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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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Kaolinite |
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Bish D L, Von Dreele R B |
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Clays and Clay Minerals 37 (1989) 289-296 |
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Rietveld refinement of non-hydrogen atomic positions in kaolinite |
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Locality: Keokuk, Iowa, USA |
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Note: clay |
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_database_code_amcsd 0012232 |
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5.1554 8.9448 7.4048 91.700 104.862 89.822 C1 |
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atom x y z |
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Al1 .2971 .4957 .4721 |
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Al2 .7926 .3300 .4699 |
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Si1 .9942 .3393 .0909 |
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Si2 .5064 .1665 .0913 |
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O1 .0501 .3539 .3170 |
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O2 .1214 .6604 .3175 |
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O3 0 .5 0 |
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O4 .2085 .2305 .0247 |
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O5 .2012 .7657 .0032 |
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OH1 .0510 .9698 .3220 |
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OH2 .9649 .1665 .6051 |
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OH3 .0348 .4769 .6080 |
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OH4 .0334 .8570 .6094 |
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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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Kaolinite |
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Bish D L |
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Clays and Clay Minerals 41 (1993) 738-744 |
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Rietveld refinement of the kaolinite structure at 1.5 K |
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Note: sample at T = 1.5 K |
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Locality: Keokuk, Iowa, USA |
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_database_code_amcsd 0012237 |
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5.1535 8.9419 7.3906 91.926 105.046 89.797 C1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1 .289 .4966 .466 .040 |
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Al2 .793 .3288 .465 .040 |
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Si1 .989 .3395 .0906 .042 |
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Si2 .507 .1665 .0938 .042 |
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O1 .049 .3482 .3168 .044 |
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O2 .113 .6599 .3188 .044 |
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O3 0 .5 0 .044 |
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O4 .204 .2291 .030 .044 |
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O5 .197 .7641 .001 .044 |
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Oh1 .050 .9710 .325 .039 |
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Oh2 .960 .1658 .607 .039 |
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Oh3 .037 .4726 .6046 .039 |
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Oh4 .038 .8582 .609 .039 |
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H1 .145 .0651 .326 .073 .033 .050 .11 .019 .033 .006 |
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H2 .063 .1638 .739 .047 .084 .051 -.008 -.011 -.010 -.014 |
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H3 .036 .5057 .732 .056 .066 .080 .028 .025 .016 .003 |
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H4 .534 .3154 .728 .049 .067 .093 -.024 .000 -.006 .025 |
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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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Kaolinite |
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Lee S, Xu H |
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Minerals 10 (2020) 124 |
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Using complementary methods of synchrotron radiation powder diffraction and |
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pair distribution functions to refine crystal structures with high quality |
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parameters - A review |
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Note: X-ray data, chemistry data provided by author |
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Locality: Murfreesboro, Arkansas, USA |
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_database_code_amcsd 0020861 |
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5.1546 8.9425 7.4033 91.704 104.735 89.852 C1 |
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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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Al1 .2984 .4955 .4753 .996 .015637 .01610 .01450 .01570 .00060 .00310 -.00110 |
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Fe1 .2984 .4955 .4753 .008 .015637 .01610 .01450 .01570 .00060 .00310 -.00110 |
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Mg1 .2984 .4955 .4753 .004 .015637 .01610 .01450 .01570 .00060 .00310 -.00110 |
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Ca1 .2984 .4955 .4753 .006 .015637 .01610 .01450 .01570 .00060 .00310 -.00110 |
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Al2 .7931 .3309 .4735 .996 .017800 .01710 .01680 .01810 .00010 .00210 -.00120 |
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Fe2 .7931 .3309 .4735 .008 .017800 .01710 .01680 .01810 .00010 .00210 -.00120 |
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Mg2 .7931 .3309 .4735 .004 .017800 .01710 .01680 .01810 .00010 .00210 -.00120 |
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Ca2 .7931 .3309 .4735 .006 .017800 .01710 .01680 .01810 .00010 .00210 -.00120 |
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Si1 .9951 .3381 .0924 .978 .013735 .01410 .01550 .01200 -.00150 .00420 -.00110 |
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Ti1 .9951 .3381 .0924 .009 .013735 .01410 .01550 .01200 -.00150 .00420 -.00110 |
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Si2 .5106 .1672 .0944 .978 .015471 .01130 .01580 .01940 -.00120 .00420 -.00080 |
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Ti2 .5106 .1672 .0944 .009 .015471 .01130 .01580 .01940 -.00120 .00420 -.00080 |
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O1 .0499 .3531 .3172 .014720 .01410 .01430 .01520 -.00470 .00330 -.00530 |
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O2 .1211 .6616 .3183 .015404 .01460 .01430 .01580 -.00280 .00120 -.00080 |
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O3 0 .5 0 .020066 .01870 .01940 .02170 .00050 .00450 -.00020 |
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O4 .2091 .2311 .0254 .020951 .01870 .02210 .02050 .00250 .00240 -.00150 |
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O5 .2041 .7639 .0012 .016837 .01610 .01770 .01650 -.00440 .00340 .00330 |
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OH1 .0497 .9689 .3249 .025066 .02490 .02290 .02730 .00650 .00610 .00450 |
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OH2 .9598 .1649 .6061 .023455 .02550 .01980 .02020 .00050 -.00310 .00040 |
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OH3 .0375 .4741 .6052 .032952 .03060 .03800 .02890 -.00360 .00580 -.00570 |
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OH4 .0366 .8569 .6077 .021936 .02050 .02850 .01760 .00320 .00590 .00450 |
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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) |
| |
|
Kaolinite |
|
Lee S, Xu H |
| |
Minerals 10 (2020) 124 |
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Using complementary methods of synchrotron radiation powder diffraction and |
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pair distribution functions to refine crystal structures with high quality |
|
parameters - A review |
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Note: Neutron data, chemistry data provided by author |
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Locality: Murfreesboro, Arkansas, USA |
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_database_code_amcsd 0020862 |
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5.1528 8.9415 7.3985 91.715 104.756 89.866 C1 |
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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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Al1 .2988 .4959 .4747 .996 .012836 .01270 .01350 .01220 -.00090 .00300 .00010 |
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Fe1 .2988 .4959 .4747 .008 .012836 .01270 .01350 .01220 -.00090 .00300 .00010 |
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Mg1 .2988 .4959 .4747 .004 .012836 .01270 .01350 .01220 -.00090 .00300 .00010 |
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Ca1 .2988 .4959 .4747 .006 .012836 .01270 .01350 .01220 -.00090 .00300 .00010 |
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Al2 .7934 .3299 .4721 .996 .013672 .01260 .01450 .01330 -.00030 .00220 .00010 |
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Fe2 .7934 .3299 .4721 .008 .013672 .01260 .01450 .01330 -.00030 .00220 .00010 |
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Mg2 .7934 .3299 .4721 .004 .013672 .01260 .01450 .01330 -.00030 .00220 .00010 |
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Ca2 .7934 .3299 .4721 .006 .013672 .01260 .01450 .01330 -.00030 .00220 .00010 |
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Si1 .9935 .3387 .0912 .978 .011837 .01150 .01290 .01100 -.00060 .00280 -.00090 |
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Ti1 .9935 .3387 .0912 .009 .011837 .01150 .01290 .01100 -.00060 .00280 -.00090 |
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Si2 .5095 .1668 .0931 .978 .012587 .01180 .01320 .01260 -.00030 .00290 -.00040 |
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Ti2 .5095 .1668 .0931 .009 .012587 .01180 .01320 .01260 -.00030 .00290 -.00040 |
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O1 .0501 .3519 .3165 .014782 .01350 .01880 .01160 -.00310 .00270 -.00260 |
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O2 .1204 .6610 .3172 .018215 .01910 .02050 .01330 -.00030 .00090 .00070 |
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O3 0 .5 0 .023960 .02940 .02040 .02080 -.00030 .00410 .00010 |
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O4 .2078 .2308 .0261 .022219 .01420 .02780 .02400 .00520 .00410 -.00270 |
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O5 .2021 .7641 .0006 .020832 .01570 .02760 .01920 -.00460 .00440 .00080 |
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OH1 .0502 .9688 .3266 .022375 .01890 .02140 .02660 .00420 .00500 .00440 |
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OH2 .9593 .1655 .6055 .022217 .02350 .01880 .02010 .00040 -.00220 .00020 |
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OH3 .0372 .4729 .6045 .024725 .02570 .02770 .02110 -.00710 .00720 -.00550 |
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OH4 .0371 .8561 .6092 .024592 .02490 .03030 .01940 .00550 .00680 .00430 |
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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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