American Mineralogist Crystal Structure Database

5 matching records for this search.

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