American Mineralogist Crystal Structure Database

32 matching records for this search.

Clinochlore
Download hom/clinochlore.pdf
Brown B E, Bailey S W
Download am/vol48/AM48_42.pdf
American Mineralogist 48 (1963) 42-61
Chlorite polytypism: II. Crystal structure of a one-layer Cr-chlorite
Note: variety called kammererite
_database_code_amcsd 0000119
5.338 9.247 14.435 90.0 97.08 90.0 C-1
atom     x     y    z occ
Mg1      0     0    0
Mg2  -.001  .333 .002
Mg3   .003  .166 .504
Mg4      0    .5   .5  .1
Al4      0    .5   .5  .2
Cr4      0    .5   .5  .7
Si1   .400  .001 .191  .6
Al1   .400  .001 .191  .4
Si2   .894  .167 .191  .9
Al2   .894  .167 .191  .1
O1    .360 -.004 .075
O2    .860  .171 .076
OH1   .381  .333 .074
O3    .133  .065 .232
O4    .645  .100 .232
O5    .931  .328 .234
OH2   .154 -.002 .432
OH3   .129  .339 .428
OH4   .653  .164 .428
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Dickite
Download hom/dickite.pdf
Bailey S W
Download am/vol48/AM48_1196.pdf
American Mineralogist 48 (1963) 1196-1209
Polymorphism of the kaolin minerals
_database_code_amcsd 0000126
5.150 8.940 14.736 90 103.58 90 Cc
atom     x     y      z
Si1  .0288 .3499  .0405
Si2  .5400 .1768  .0402
Al1  .3166 .4966  .2320
Al2  .8116 .3330  .2306
O1   .0385 .5127 -.0061
O2   .7355 .2776 -.0058
O3   .2412 .2395  .0058
O4   .0720 .3624  .1523
O5   .6416 .1687  .1526
OH1  .5756 .4742  .1574
OH2  .0509 .4767  .2948
OH3  .5509 .3551  .2981
OH4  .9635 .1668  .2963
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Greenalite
Download hom/greenalite.pdf
Shirozu H, Bailey S W
Download am/vol50/AM50_868.pdf
American Mineralogist 50 (1965) 868-885
Chlorite polytypism: III. Crystal structure of an orthohexagonal iron chlorite
_database_code_amcsd 0000136
5.390 9.336 14.166 90 90.0 90 C2/m
atom     x    y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe1      0    0     0  .67       .0074  .0035  .0029 -.0020 -.0008  .0002
Mg1      0    0     0 .165       .0074  .0035  .0029 -.0020 -.0008  .0002
Al1      0    0     0 .165       .0074  .0035  .0029 -.0020 -.0008  .0002
Fe2      0  1/3     0  .67       .0074  .0035  .0029 -.0020 -.0008  .0002
Mg2      0  1/3     0 .165       .0074  .0035  .0029 -.0020 -.0008  .0002
Al2      0  1/3     0 .165       .0074  .0035  .0029 -.0020 -.0008  .0002
Fe3      0    0   1/2  .47       .0082  .0027  .0029 -.0018 -.0010 -.0001
Mg3      0    0   1/2 .265       .0082  .0027  .0029 -.0018 -.0010 -.0001
Al3      0    0   1/2 .265       .0082  .0027  .0029 -.0018 -.0010 -.0001
Fe4      0  1/3   1/2  .47       .0082  .0027  .0029 -.0018 -.0010 -.0001
Mg4      0  1/3   1/2 .265       .0082  .0027  .0029 -.0018 -.0010 -.0001
Al4      0  1/3   1/2 .265       .0082  .0027  .0029 -.0018 -.0010 -.0001
Si   .3328  1/3 .1949  .67 1.42
Al   .3328  1/3 .1949  .33 1.42
O1   .3349  1/3 .0770      1.89
OH1  .3349    0 .0770      1.89
O2    .094 .236  .236      2.13
O3    .310  1/2  .236      1.51
OH2  .1656  1/6 .4303      2.58
OH3  .1656  1/2 .4303      2.58
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Vermiculite
Download hom/vermiculite.pdf
Shirozu H, Bailey S W
Download am/vol51/AM51_1124.pdf
American Mineralogist 51 (1966) 1124-1143
Crystal structure of a two-layer Mg-vermiculite
_database_code_amcsd 0000150
5.349 9.255 28.89 90 97.12 90 C2/c
atom     x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0 .1638   .25       .96
Mg2      0 .4997   .25       .82
Mg3      0 .8332   .25       .86
Mg4      0     0     0  .41 2.30
Si1  .1042 .9997 .1545 .715 1.23
Al1  .1042 .9997 .1545 .285 1.23
Si2  .1026 .6647 .1547 .715  .83
Al2  .1026 .6647 .1547 .285  .83
O1   .1424 .0039 .2132       .83
O2   .1410 .6683 .2113      1.05
O3   .3579 .0697 .1338      2.09
O4   .3529 .5964 .1346      2.01
O5   .5593 .3316 .1339      1.94
OH   .1420 .3380 .2129      1.21
Wat1 .3363 .9736 .0397  .62       .0601  .0242  .0006 -.0024  .0036 -.0036
Wat2 .3515 .3274 .0412  .62       .0768  .0226  .0007 -.0187  .0011 -.0037
Wat3 .3832 .6520 .0414  .62       .0686  .0276  .0006 -.0181  .0067 -.0034
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Sudoite
Download hom/sudoite.pdf
Eggleton R A, Bailey S W
Download am/vol52/AM52_673.pdf
American Mineralogist 52 (1967) 673-689
Structural aspects of dioctahedral chlorite
_database_code_amcsd 0000155
5.237 9.070 14.285 90 97.03 90 C2/m
atom     x     y     z occ
Si   .2312 .1667 .1909 .83
Al   .2312 .1667 .1909 .17
Al2      0 .3333     0
Mg3      0 .1667    .5 .77
Al3      0 .1667    .5 .23
Mg4      0    .5    .5 .77
Al4      0    .5    .5 .23
O1   .1900 .1667 .0720
O2   .1943     0 .2368
O3   .5066 .2335 .2332
OH1  .1900    .5 .0720
OH2  .1421     0 .4243
OH3  .1421 .3333 .4243
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Chlorite
 
Lister J S, Bailey S W
Download am/vol52/AM52_1614.pdf
American Mineralogist 52 (1967) 1614-1631
Chlorite polytypism: IV. Regular two-layer structures
refined structure
_database_code_amcsd 0000162
5.335 9.240 28.735 90 90 90 C1
atom    x    y    z
Mg1     0    0    0
Mg2  .007 .329 .002
Mg3  .987 .660 .996
Mg4  .164 .170  .25
Mg5  .180 .502  .25
Mg6  .176 .832  .25
Mg7  .021 .992 .498
Mg8  .984 .329 .496
Mg9  .015 .656 .497
Mg10 .338 .002 .750
Mg11 .345 .335 .750
Mg12 .348 .668 .750
Si1  .336 .338 .152
Si2  .339 .672 .154
Si3  .004 .001 .348
Si4  .006 .671 .344
Si5  .170 .167 .656
Si6  .170 .837 .653
Si7  .992 .005 .844
Si8  .992 .671 .845
O1   .098 .760 .132
O2   .590 .730 .138
O3   .322 .512 .138
O4   .333 .333 .214
O5   .333 .667 .214
O6   .215 .570 .371
O7   .739 .620 .358
O8   .514 .316 .369
O9      0    0 .286
O10     0 .667 .286
O11  .410 .732 .640
O12  .914 .758 .634
O13  .678 .508 .640
O14  .167 .167 .714
O15  .167 .833 .714
O16  .278 .621 .859
O17  .778 .571 .872
O18  .450 .328 .867
O19     0    0 .786
O20     0 .667 .786
OH1  .386 .002 .967
OH2  .366 .347 .967
OH3  .378 .667 .967
OH4  .172 .155 .034
OH5  .156 .504 .034
OH6  .154 .826 .034
OH7  .333    0 .214
OH8     0 .333 .286
OH9  .168 .167 .467
OH10 .140 .505 .467
OH11 .166 .843 .467
OH12 .363 .002 .534
OH13 .371 .327 .534
OH14 .384 .648 .534
OH15 .167   .5 .714
OH16    0 .333 .786
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Microcline
Download hom/microcline.pdf
Bailey S W
Download am/vol54/AM54_1540.pdf
American Mineralogist 54 (1969) 1540-1545
Refinement of an intermediate microcline structure
_database_code_amcsd 0000194
8.5784 12.9600 7.2112 90.30 116.03 89.125 C-1
atom      x      y      z occ  B(1,1)  B(2,2)  B(3,3)   B(1,2)  B(1,3)   B(2,3)
K     .2837 -.0032  .1378     .005043 .002592 .008173 -.000083 .001919 -.000145
Al1o  .0095  .1856  .2214 .60 .002732 .000749 .001159 -.000439 .001379 -.000207
Si1o  .0095  .1856  .2214 .40 .002732 .000749 .001159 -.000439 .001379 -.000207
Si1m  .0095  .8173  .2280 .77 .002524 .000790 .001162  .000329 .001177  .000340
Al1m  .0095  .8173  .2280 .23 .002524 .000790 .001162  .000329 .001177  .000340
Si2o  .7098  .1189  .3421 .94 .002851 .000361 .001488 -.000124 .001058  .000320
Al2o  .7098  .1189  .3421 .06 .002851 .000361 .001488 -.000124 .001058  .000320
Si2m  .7076  .8833  .3466 .96 .002526 .000512 .001637 -.000069 .001058  .000032
Al2m  .7076  .8833  .3466 .04 .002526 .000512 .001637 -.000069 .001058  .000032
OA1  -.0005  .1447 -.0072     .006890 .001677 .005489 -.000012 .003506  .000193
OA2   .6369  .0020  .2857     .005170 .001276 .002484 -.000207 .000064 -.000404
OBo   .8238  .1468  .2239     .006182 .002495 .008416 -.000551 .005427  .000664
OBm   .8279  .8545  .2331     .005879 .002331 .008764 -.000213 .005616 -.000395
OCo   .0350  .3153  .2549     .003624 .001514 .003887 -.000696 .001000 -.000801
OCm   .0366  .6914  .2635     .003307 .001375 .006010  .000985 .001131  .000435
ODo   .1842  .1245  .4065     .006221 .001275 .003388  .000027 .001164  .000967
ODm   .1777  .8741  .4095     .006372 .001077 .003408 -.000098 .001197  .000123
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Margarite-2M1
 
Guggenheim S, Bailey S W
Download am/vol60/AM60_1023.pdf
American Mineralogist 60 (1975) 1023-1029
Refinement of the margarite structure in subgroup symmetry
_database_code_amcsd 0000477
5.1038 8.8287 19.148 90 95.46 90 Cc
atom     x     y     z occ Biso
Ca       0 .0932   .25     1.02
Si1  .4647 .9285 .1416  .5  .99
Si2  .5364 .0752 .8549  .5  .58
Si3  .4567 .2572 .1444  .5  .61
Si4  .5500 .7437 .8573  .5  .97
Al1  .4647 .9285 .1416  .5  .99
Al2  .5364 .0752 .8549  .5  .58
Al3  .4567 .2572 .1444  .5  .61
Al4  .5500 .7437 .8573  .5  .97
Al5  .7469 .9187 .9997      .73
Al6  .2510 .0863 .9998      .55
H1   .3970 .6370 .0830      .78
H2   .6030 .3630 .9170      .78
O1   .9600 .4436 .0512     1.00
O2   .0460 .5585 .9390      .50
O3   .3950 .2540 .0568      .90
O4   .6190 .7489 .9447      .70
O5   .3670 .0974 .1775     1.10
O6   .6410 .9167 .8226      .60
O7   .2660 .7784 .1665      .50
O8   .7110 .2140 .8304     1.10
O9   .2870 .3926 .1785      .40
O10  .7370 .6080 .8211     1.40
O11  .4480 .5693 .0488      .40
O12  .5430 .4417 .9468     1.00
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Zinnwaldite
Download hom/zinnwaldite.pdf
Guggenheim S, Bailey S W
Download am/vol62/AM62_1158.pdf
American Mineralogist 62 (1977) 1158-1167
The refinement of zinnwaldite-1M in subgroup symmetry
Note: the sample is from the Sadisdorf Mine dump, East Germany
_database_code_amcsd 0000604
5.296 9.140 10.096 90 100.83 90 C2
atom     x      y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
K        0  .5028     0 .900  .0181  .0048  .0054      0  .0013      0
Na       0  .5028     0 .050  .0181  .0048  .0054      0  .0013      0
Al1      0 -.0069    .5       .0067  .0009 .00236      0  .0013      0
Fe2      0  .3217    .5 .160  .0050  .0014  .0017      0  .0006      0
Ti2      0  .3217    .5 .010  .0050  .0014  .0017      0  .0006      0
Fe2      0  .3217    .5 .770  .0050  .0014  .0017      0  .0006      0
Mn2      0  .3217    .5 .050  .0050  .0014  .0017      0  .0006      0
Li6     .5  .1631    .5 .670  .0050  .0012  .0023      0      0      0
Mg6     .5  .1631    .5 .010  .0050  .0012  .0023      0      0      0
Si1  .0745  .1688 .2276 .773  .0053  .0010  .0016  .0003  .0003 -.0002
Al1  .0745  .1688 .2276 .227  .0053  .0010  .0016  .0003  .0003 -.0002
Si2  .5844  .3323 .2275 .773  .0044  .0009  .0022  .0002  .0006 -.0000
Al2  .5844  .3323 .2275 .227  .0044  .0009  .0022  .0002  .0006 -.0000
O1   .0289 -.0002 .1720       .0202  .0021  .0030  .0000  .0002 -.0002
O2   .3248  .2350 .1725       .0125  .0053  .0029 -.0031  .0019 -.0005
O22  .8177  .2641 .1597       .0117  .0046  .0031  .0028  .0010  .0007
O3   .1155  .1748 .3939       .0067  .0019  .0019  .0011  .0008 -.0001
O33  .6639  .3271 .3928       .0058  .0022  .0022  .0002  .0003  .0000
F    .1089  .4715 .3989       .0108  .0025  .0032 -.0007  .0009  .0005
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Margarite
Download hom/margarite.pdf
Guggenheim S, Bailey S W
Download am/vol63/AM63_186.pdf
American Mineralogist 63 (1978) 186-187
Refinement of the margarite structure in subgroup symmetry: correction,
further refinement, and comments
_database_code_amcsd 0000615
5.104 8.829 19.148 90 95.5 90 Cc
atom     x     y      z occ Biso
Ca       0 .0933    .25      .80
Al1  .7449 .9177  .9996      .53
Al2  .2488 .0858 -.0003      .44
Si1  .4623 .9264  .1422  .5  .46
Al1  .4623 .9264  .1422  .5  .46
Si2  .4544 .2567  .1445  .5  .22
Al2  .4544 .2567  .1445  .5  .22
Si11 .5336 .0739  .8551  .5  .59
Al11 .5336 .0739  .8551  .5  .59
Si22 .5467 .7440  .8576  .5  .89
Al22 .5467 .7440  .8576  .5  .89
O1    .962 .4445  .0527      .50
O2    .395 .2544  .0590      .50
OH1   .449 .5696  .0507      .40
O3    .366 .0974  .1781      .80
O4    .267 .7782  .1682      .60
O5    .289 .3924  .1788      .60
O11   .045 .5614  .9401      .60
O22   .618 .7502  .9468      .50
OH11  .543 .4396  .9482      .80
O33   .639 .9172  .8236      .50
O44   .712 .2149  .8323      .60
O55   .737 .6062  .8217      .70
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Clinochlore
Download hom/clinochlore.pdf
Phillips T L, Loveless J K, Bailey S W
Download am/vol65/AM65_112.pdf
American Mineralogist 65 (1980) 112-122
Cr3+ coordination in chlorites: a structural study of ten chromian chlorites
Day Book Body, N. C.
_database_code_amcsd 0000770
5.327 9.227 14.356 90.45 97.35 89.98 C-1
atom      x      y      z occ Biso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
Mg1       0      0      0          0.0091 0.0042 .00290 -.0004  0.0007 0.00020
Mg2   .0015  .3336 -.0001          0.0089 0.0041 .00298 -.0006  0.0006 0.00012
Mg3  -.0008  .1667  .4999          0.0109 0.0043 .00332 -.0008  0.0006 0.00018
Al1       0     .5     .5 .71      0.0057 0.0023 .00224 -.0008  0.0005 0.00020
Cr1       0     .5     .5 .28      0.0057 0.0023 .00224 -.0008  0.0005 0.00020
Si1   .2328  .1688  .1920 .76      0.0040 0.0019 .00214 -.0007  0.0004 0.00016
Al1   .2328  .1688  .1920 .24      0.0040 0.0019 .00214 -.0007  0.0004 0.00016
Si2   .7332  .0022  .1919 .76      0.0037 0.0020 .00215 -.0005  0.0003 0.00018
Al2   .7332  .0022  .1919 .24      0.0037 0.0020 .00215 -.0005  0.0003 0.00018
Oh1   .6915  .3338  .0727          0.0060 0.0033 .00230 -.0002  0.0004 0.00030
Oh2   .1582 -.0009  .4305          0.0110 0.0042 .00220 -.0011  0.0001 0.00020
Oh3   .1349  .3396  .4303          0.0120 0.0042 .00220 -.0008  0.0005 0.00040
Oh4   .6351  .1582  .4308          0.0090 0.0038 .00220 -.0003  -.0002 0.00010
O1    .1935  .1673  .0769          0.0050 0.0029 .00240 -.0008  0.0006 0.00040
O2    .6938  .0011  .0767          0.0060 0.0025 .00230 -.0009  0.0005 0.00000
O3    .2107  .3364  .2333          0.0130 0.0040 .00260 -.0013  0.0004 0.00030
O4    .5151  .1045  .2334          0.0100 0.0040 .00300 -.0001  0.0003 -.00020
O5    .0148  .0674  .2330          0.0090 0.0052 .00300 -.0017  0.0003 0.00070
H1     .687   .343   .142      1.5
H2     .127   .012   .371      1.5
H3    .1290  .3510  .3670      1.5
H4    .6080  .1570  .3680      1.5
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Clinochlore
Download hom/clinochlore.pdf
Phillips T L, Loveless J K, Bailey S W
Download am/vol65/AM65_112.pdf
American Mineralogist 65 (1980) 112-122
Cr3+ coordination in chlorites: a structural study of ten chromian chlorites
Siskiyou Co., Calif.
_database_code_amcsd 0000771
5.334 9.228 14.371 90.53 97.43 89.90 C-1
atom      x      y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)  B(2,3)
Mg1       0      0     0          0.0116 0.0037 .01090  .0019      0 -.00010
Mg2   .0014  .3337     0          0.0115 0.0038 .00108  .0017      0 -.00019
Mg3  -.0006  .1667    .5          0.0136 0.0045 .00141  .0019  .0005 -.00001
Al1       0     .5    .5 .75      0.0112 0.0035 .00100  .0016  .0002 -.00004
Cr1       0     .5    .5 .25      0.0112 0.0035 .00100  .0016  .0002 -.00004
Si1   .2326  .1692 .1920 .75      0.0088 0.0029 .00065  .0018  .0001 -.00001
Al1   .2326  .1692 .1920 .25      0.0088 0.0029 .00065  .0018  .0001 -.00001
Si2   .7331  .0023 .1919 .75      0.0091 0.0029 .00069  .0017  .0001 -.00001
Al2   .7331  .0023 .1919 .25      0.0091 0.0029 .00069  .0017  .0001 -.00001
Oh1   .6923  .3339 .0731          0.0120 0.0036  .0007  .0025  .0000  0.0001
Oh2   .1575 -.0011 .4302          0.0160 0.0052  .0006  .0026  .0002  0.0001
Oh3   .1334  .3402 .4301          0.0140 0.0053  .0008  .0025  .0003  0.0002
Oh4   .6335  .1570 .4307          0.0120 0.0055  .0008  .0028  .0000  0.0000
O1    .1932  .1675 .0766          0.0100 0.0031  .0008  .0023  .0001  0.0001
O2    .6930  .0009 .0766          0.0110 0.0033  .0009  .0024  .0003  0.0000
O3    .2108  .3367 .2331          0.0200 0.0050  .0010  .0007 -.0001  -.0002
O4    .5162  .1045 .2340          0.0160 0.0066  .0010  .0025 -.0002  -.0004
O5    .0164  .0682 .2330          0.0150 0.0065  .0010 -.0001 -.0002  0.0002
H1    .7054  .3318 .1375      1.5
H2    .1521  .0027 .3625      1.5
H3    .1320  .3445 .3636      1.5
H4    .6125  .1527 .3617      1.5
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Amesite
Download hom/amesite.pdf
Anderson C S, Bailey S W
Download am/vol66/AM66_185.pdf
American Mineralogist 66 (1981) 185-195
A new cation ordering pattern in amesite-2H2
Locality: Saranovskoye chromite deposit, North Urals Mountains, USSR
_database_code_amcsd 0000809
5.307 9.195 14.067 90.1 90.3 90 C1
atom      x      y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si1       0      0 .0410 .513      0.0136 0.0035 0.0014 0.0013 0.0003 -.0001
Al1       0      0 .0410 .486      0.0136 0.0035 0.0014 0.0013 0.0003 -.0001
Si2   .0023  .3339 .0425 .513      0.0122 0.0031 0.0016 0.0008 0.0005 -.0002
Al2   .0023  .3339 .0425 .486      0.0122 0.0031 0.0016 0.0008 0.0005 -.0002
Si11  .0136  .0058 .5410 .513      0.0137 0.0031 0.0016 0.0012 0.0003 -.0001
Al11  .0136  .0058 .5410 .486      0.0137 0.0031 0.0016 0.0012 0.0003 -.0001
Si22  .5073  .1709 .5424 .513      0.0139 0.0032 0.0013 0.0006 0.0001 -.0001
Al22  .5073  .1909 .5024 .486      0.0139 0.0032 0.0013 0.0006 0.0001 -.0001
Mg1   .1695  .1683 .2377 .654      0.0115 0.0032 0.0015 0.0004 0.0005 0.0000
Al1   .1695  .1683 .2377 .339      0.0115 0.0032 0.0015 0.0004 0.0005 0.0000
Mg2   .6698 -.0031 .2374 .654      0.0135 0.0039 0.0018 0.0008 0.0002 -.0001
Al2   .6698 -.0031 .2374 .339      0.0135 0.0039 0.0018 0.0008 0.0002 -.0001
Mg3   .6763  .3335 .2377 .654      0.0116 0.0031 0.0015 0.0010 0.0003 -.0002
Al3   .6763  .3335 .2377 .339      0.0116 0.0031 0.0015 0.0010 0.0003 -.0002
Mg11  .3434  .3400 .7380 .654      0.0125 0.0031 0.0016 0.0008 0.0001 -.0003
Al11  .3434  .3400 .7380 .339      0.0125 0.0031 0.0016 0.0008 0.0001 -.0003
Mg22  .3433  .0115 .7367 .654      0.0132 0.0030 0.0015 0.0004 0.0002 0.0000
Al22  .3433  .0115 .7367 .339      0.0132 0.0030 0.0015 0.0004 0.0002 0.0000
Mg33  .8372  .1750 .7381 .654      0.0130 0.0032 0.0016 0.0012 0.0002 -.0001
Al33  .8372  .1750 .7381 .339      0.0130 0.0032 0.0016 0.0012 0.0002 -.0001
O1   -.0047 -.0019 .1585           0.0220 0.0059 0.0014 0.0020 -.0002 -.0002
O2    .0066  .3351 .1659           0.0150 0.0040 0.0016 0.0015 0.0001 0.0000
O3    .9768  .1603 .0025           0.0180 0.0037 0.0022 0.0008 0.0009 -.0004
O4    .7228 -.0422 .0005           0.0140 0.0048 0.0022 0.0000 0.0001 0.0003
O5    .7027  .3827 .0023           0.0130 0.0036 0.0022 0.0016 -.0002 -.0003
O11   .0274  .0092 .6582           0.0160 0.0044 0.0014 0.0013 0.0004 0.0001
O22   .4979  .1657 .6659           0.0150 0.0040 0.0015 0.0002 0.0003 -.0001
O33   .2862  .0478 .4983           0.0140 0.0044 0.0022 0.0007 0.0001 -.0010
O44   .4330  .3447 .5036           0.0180 0.0036 0.0021 0.0018 -.0010 0.0002
O55   .8071  .1229 .5031           0.0150 0.0039 0.0022 0.0024 0.0009 0.0000
Oh1   .5071  .1607 .1656           0.0250 0.0078 0.0014 0.0000 0.0005 -.0003
Oh2   .3447  .0004 .3062           0.0230 0.0066 0.0015 -.0033 0.0010 -.0004
Oh3   .3388  .3373 .3071           0.0240 0.0042 0.0015 0.0014 0.0000 0.0002
Oh4   .8345  .1594 .3067           0.0140 0.0101 0.0014 0.0027 0.0009 0.0005
Oh11 -.0009  .3523 .6659           0.0200 0.0051 0.0014 0.0014 0.0001 0.0002
Oh22  .6859  .3562 .8057           0.0160 0.0051 0.0016 0.0003 0.0005 -.0006
Oh33  .6573  .0078 .8074           0.0180 0.0042 0.0015 0.0003 -.0001 0.0002
Oh44  .1815  .1651 .8070           0.0210 0.0042 0.0014 0.0020 0.0005 0.0004
H1     .507   .156  .104        2.
H2     .304   .037  .365        2.
H3     .362   .346  .365        2.
H4     .818   .133  .368        2.
H11    .982   .387  .624        2.
H22    .689   .382  .869        2.
H33    .677   .962  .863        2.
H44    .145   .151  .871        2.
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Kanonaite
Download hom/kanonaite.pdf
Weiss Z, Bailey S W, Rieder M
Download am/vol66/AM66_561.pdf
American Mineralogist 66 (1981) 561-567
Refinement of the crystal structure of kanonaite, (Mn,Al)(Al,Mn)O[SiO4]
_database_code_amcsd 0000833
7.959 8.047 5.616 90 90 90 Pnnm
atom      x      y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mn1       0      0 .2429 .74 0.0033 0.0025 0.0055 0.0005      0      0
Al1       0      0 .2429 .26 0.0033 0.0025 0.0055 0.0005      0      0
Mn2  -.1252  .3630     0 .12 0.0036 0.0037 0.0084 -.0001      0      0
Al2  -.1252  .3630     0 .88 0.0036 0.0037 0.0084 -.0001      0      0
Si1   .2492  .2549     0     0.0025 0.0021 0.0055 0.0003      0      0
O1    .0743 -.1369     0     0.0039 0.0029 0.0068 0.0001      0      0
O2    .4243  .3626     0     0.0031 0.0038 0.0075 0.0001      0      0
O3    .1042  .3989     0     0.0025 0.0024 0.0099 0.0001      0      0
O4    .2430  .1413 .2383     0.0044 0.0035 0.0072 0.0001 -.0006 0.0006
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Paragonite
Download hom/paragonite.pdf
Lin C Y, Bailey S W
Download am/vol69/AM69_122.pdf
American Mineralogist 69 (1984) 122-127
The crystal structure of paragonite-2M1
_database_code_amcsd 0000924
5.128 8.898 19.287 90 94.35 90 C2/c
atom     x     y       z  occ B(1,1) B(2,2)  B(3,3)  B(1,2)  B(1,3)  B(2,3)
Al1  .9528 .4288   .1409 .265 0.0050 0.0017 0.00114 -.00030 0.00020 0.00005
Si1  .9528 .4288   .1409 .735 0.0050 0.0017 0.00114 -.00030 0.00020 0.00005
Al2  .4401 .2578   .1409 .265 0.0056 0.0016 0.00116 0.00010 0.00020 0.00002
Si2  .4401 .2578   .1409 .735 0.0056 0.0016 0.00116 0.00010 0.00020 0.00002
Al2  .2499 .0832 -.00002      0.0051 0.0015 0.00112 -.00060 -.00010 0.00012
Na       0 .0941     .25      0.0218 0.0095 0.00210 -.00410 0.00250 0.00130
O1   .9574 .4439   .0554      0.0051 0.0020 0.00140 0.00080 -.00010 0.00001
O2   .3795 .2516   .0554      0.0074 0.0015 0.00130 -.00020 0.00020 0.00008
O3   .3739 .0914   .1743      0.0134 0.0027 0.00150 -.00070 0.00040 0.00020
O4   .7491 .2960   .1628      0.1221 0.0029 0.00150 -.00010 0.00040 0.00050
O5   .2475 .3818   .1748      0.0111 0.0026 0.00160 0.00090 0.00070 0.00000
Oh   .9518 .0628   .0512      0.0061 0.0024 0.00130 -.00080 0.00040 -.00050
H    .8866 .1458   .0706
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Anandite
Download hom/anandite.pdf
Filut M A, Rule A C, Bailey S W
Download am/vol70/AM70_1298.pdf
American Mineralogist 70 (1985) 1298-1308
Crystal structure refinement of anandite-2Or, a barium-
and sulfur-bearing trioctahedral mica
_database_code_amcsd 0001004
5.439 9.509 19.878 90 90 90 Pnmn
atom     x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba   .6679 .0000 .2553 .955 2.04  .0167  .0091  .0005      0  .0000      0
K    .6679 .0000 .2553 .032 2.04  .0167  .0091  .0005      0  .0000      0
Na   .6679 .0000 .2553 .013 2.04  .0167  .0091  .0005      0  .0000      0
MgM1 .0000 .0000 .0000  .53  .73  .0069  .0023  .0004      0  .0001      0
FeM1 .0000 .0000 .0000   .4  .73  .0069  .0023  .0004      0  .0001      0
AlM1 .0000 .0000 .0000  .07  .73  .0069  .0023  .0004      0  .0001      0
FeM2 .5000 .5000 .0000       .83  .0095  .0022  .0004      0 -.0003      0
FeM3 .0000 .6559 .0000       .88  .0064  .0038  .0003      0  .0001      0
FeM4 .5000 .1690 .0000  .81  .80  .0078  .0022  .0004      0 -.0000      0
MgM4 .5000 .1690 .0000  .04  .80  .0078  .0022  .0004      0 -.0000      0
MnM4 .5000 .1690 .0000  .08  .80  .0078  .0022  .0004      0 -.0000      0
AlM4 .5000 .1690 .0000  .07  .80  .0078  .0022  .0004      0 -.0000      0
SiT1 .1665 .1617 .1387       .69  .0092  .0021  .0001 -.0000  .0000 -.0000
SiT2 .6701 .6667 .1403   .3 1.10  .0098  .0044  .0003  .0002  .0000  .0002
FeT2 .6701 .6667 .1403   .7 1.10  .0098  .0044  .0003  .0002  .0000  .0002
O1   .1593 .1625 .0576       .75  .0092  .0024  .0002 -.0000  .0004 -.0000
O2   .6762 .6688 .0506      1.05  .0060  .0029  .0009 -.0004  .0005  .0003
O3   .4124 .2293 .1706      2.36  .0188  .0100  .0008 -.0040 -.0017  .0003
O4   .9264 .7671 .1734      2.16  .0171  .0099  .0006 -.0040  .0016  .0004
O5   .1638 .0000 .1656      3.95  .0868  .0027  .0004      0  .0000      0
O6   .6621 .5000 .1811      2.64  .0178  .0127  .0008      0  .0002      0
OH   .6674 .0000 .0509       .96
S    .1665 .5000 .0838      1.88  .0109  .0030  .0004      0 -.0001      0
HS   .6709 .0000 .0903      2.00
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Clintonite-1M
 
MacKinney J A, Mora C I, Bailey S W
Download am/vol73/AM73_365.pdf
American Mineralogist 73 (1988) 365-375
Structure and crystal chemistry of clintonite
Sample from Chichibu mine
_database_code_amcsd 0001141
5.197 9.002 9.812 90 100.32 90 C2/m
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si   .5705 .1670 .2101 .27  .0055  .0017  .0014 -.0000  .0005 -.0000
Al   .5705 .1670 .2101 .72  .0055  .0017  .0014 -.0000  .0005 -.0000
Fe   .5705 .1670 .2101 .01  .0055  .0017  .0014 -.0000  .0005 -.0000
Mg1      0    .5    .5  .8  .0042  .0013  .0016      0  .0004      0
Al1      0    .5    .5 .17  .0042  .0013  .0016      0  .0004      0
Fe1      0    .5    .5 .03  .0042  .0013  .0016      0  .0004      0
Mg2     .5 .3292    .5 .65  .0042  .0014  .0015      0  .0004      0
Al2     .5 .3292    .5 .35  .0042  .0014  .0015      0  .0004      0
Ca      .5    .5     0      .0069  .0021  .0014      0  .0004      0
O1   .4265     0 .1523      .0089  .0029  .0021      0 -.0000      0
O2   .8627 .1878 .1512      .0089  .0032  .0021 -.0007  .0011 -.0004
O3   .6316 .1689 .3889      .0102  .0028  .0018 -.0001  .0006  .0000
Oh   .6277    .5 .3990      .0093  .0047  .0013      0  .0001      0
H     .095     0  .313
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Clintonite-1M
 
MacKinney J A, Mora C I, Bailey S W
Download am/vol73/AM73_365.pdf
American Mineralogist 73 (1988) 365-375
Structure and crystal chemistry of clintonite
Sample from Ertsberg, Irian Jaya
_database_code_amcsd 0001142
5.199 9.005 9.812 90 100.30 90 C2/m
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si   .5703 .1670 .2100 .28  .0051  .0019  .0011 -.0000  .0005  .0000
Al   .5703 .1670 .2100  .7  .0051  .0019  .0011 -.0000  .0005  .0000
Fe   .5703  .167   .21 .02  .0051  .0019  .0011  .0000  .0005  .0000
Mg1      0    .5    .5 .75  .0034  .0014  .0013      0  .0004      0
Al1      0    .5    .5 .18  .0034  .0014  .0013      0  .0004      0
Fe1      0    .5    .5 .07  .0034  .0014  .0013      0  .0004      0
Mg2     .5 .3292    .5 .67  .0035  .0013  .0011      0  .0005      0
Al2     .5 .3292    .5 .33  .0035  .0013  .0011      0  .0005      0
Ca      .5    .5     0      .0075  .0026  .0012      0  .0005      0
O1   .4260     0 .1528      .0094  .0032  .0019      0  .0001      0
O2   .8631 .1876 .1513      .0091  .0037  .0020 -.0008  .0010 -.0004
O3   .6311 .1685 .3887      .0094  .0030  .0016  .0000  .0006 -.0004
Oh   .6281    .5 .3981      .0088  .0047  .0009      0  .0002      0
H     .088     0  .303
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Clintonite-1M
 
MacKinney J A, Mora C I, Bailey S W
Download am/vol73/AM73_365.pdf
American Mineralogist 73 (1988) 365-375
Structure and crystal chemistry of clintonite
Sample from Edenvill, Orange Country, New York
_database_code_amcsd 0001143
5.200 9.005 9.779 90 100.30 90 C2/m
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si   .5703 .1669 .2096 .33  .0044  .0014  .0015  .0000  .0007  .0000
Al   .5703 .1669 .2096 .67  .0044  .0014  .0015  .0000  .0007  .0000
Mg1      0    .5    .5  .8  .0034  .0008  .0018      0  .0008      0
Al1      0    .5    .5 .16  .0034  .0008  .0018      0  .0008      0
Fe1      0    .5    .5 .04  .0034  .0008  .0018      0  .0008      0
Mg2     .5 .3302    .5 .68  .0039  .0012  .0018      0  .0007      0
Al2     .5 .3302    .5 .27  .0039  .0012  .0018      0  .0007      0
Fe2     .5 .3302    .5 .04  .0039  .0012  .0018      0  .0007      0
Ca      .5    .5     0      .0077  .0024  .0026      0  .0010      0
O1   .4295     0 .1508      .0115  .0030  .0023      0  .0003      0
O2   .8609 .1895 .1500      .0101  .0035  .0024 -.0009  .0016 -.0004
O3   .6306 .1681 .3877      .0080  .0022  .0018 -.0000  .0007 -.0000
Oh   .6291    .5 .3977      .0083  .0033  .0014      0  .0003      0
H    .1065     0   .31
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Franklinfurnaceite
Download hom/franklinfurnaceite.pdf
Peacor D R, Rouse R C, Bailey S W
Download am/vol73/AM73_876.pdf
American Mineralogist 73 (1988) 876-887
Crystal structure of franklinfurnaceite: A tri-dioctahedral zincosilicate
intermediate between chlorite and mica
_database_code_amcsd 0001192
5.483 9.39 14.51 90 97.04 90 C2
atom     x      y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .4462  .0087 .3309       .007   .008   .009   .000  -.001   .001
Mn1      0      0     0 .55   .005   .006   .013      0   .000      0
Mg1      0      0     0  .3   .005   .006   .013      0   .000      0
Zn1      0      0     0 .15   .005   .006   .013      0   .000      0
Mn2      0  .3230     0       .007   .005   .010      0   .000      0
Mn3      0  .6707     0 .95   .005   .007   .013      0  -.002      0
Mg3      0  .6707     0 .05   .005   .007   .013      0  -.002      0
Fe4      0  .1757    .5 .75   .006   .008   .010      0  -.002      0
Al4      0  .1757    .5 .25   .006   .008   .010      0  -.002      0
Mn5      0  .8412    .5 .55   .007   .007   .009      0  -.001      0
Mg5      0  .8412    .5  .3   .007   .007   .009      0  -.001      0
Zn5      0  .8412    .5 .15   .007   .007   .009      0  -.001      0
Zn   .9041  .1742 .1993       .007   .008   .009   .000  -.001  -.001
Si   .9066  .8404 .2043       .005   .006   .004   .001  -.001  -.001
O1   .3726  .3381 .0907       .006   .010   .018   .001   .002  -.002
O2   .3617  .6779 .0661       .005   .015   .006  -.003  -.003   .002
O3   .1382  .3309 .2440       .010   .006   .011   .000  -.002  -.003
O4   .0820  .7054 .2446       .009   .011   .007   .007   .001   .003
O5   .0439 -.0110 .2442       .009   .009   .013  -.003  -.007   .002
OH1  .2764  .1861 .4184       .019   .018   .008   .004   .002  -.002
OH2  .3021  .8199 .4190       .006   .011   .005  -.002   .000   .003
OH3  .3711 -.0190 .0701       .007   .019   .010  -.001  -.009   .000
OH4  .8441  .0154 .4167       .006   .016   .016   .005  -.008  -.002
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Manandonite
Download hom/manandonite.pdf
Zheng H, Bailey S W
Download am/vol80/AM80_387.pdf
American Mineralogist 80 (1995) 387-393
The crystal structure of manandonite-2H2
_database_code_amcsd 0001732
5.070 8.776 13.778 90.09 90.12 89.97 C1
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Al1   .1693  .1705  .2250 .71  .0245  .0319  .0365  .0076 -.0026  .0018
Li1   .1693  .1705  .2250 .29  .0245  .0319  .0365  .0076 -.0026  .0018
Al2   .6770  .0003  .2256 .71  .0265  .0320  .0334  .0069  .0020  .0014
Li2   .6770  .0003  .2256 .28  .0265  .0320  .0334  .0069  .0020  .0014
Al3   .6739  .3347  .2247  .6  .0273  .0378  .0325  .0073 -.0011 -.0028
Li3   .6739  .3347  .2247 .39  .0273  .0378  .0325  .0073 -.0011 -.0028
Si1   .0120  .0002  .0298 .62  .0084  .0279  .0848  .0122 -.0057 -.0027
Al4   .0120  .0002  .0298 .29  .0084  .0279  .0848  .0122 -.0057 -.0027
B1    .0120  .0002  .0298 .09  .0084  .0279  .0848  .0122 -.0057 -.0027
Si2   .0149  .3328  .0298  .4  .0303  .0470  .0558  .0063 -.0033  .0044
Al2   .0149  .3328  .0298 .14  .0303  .0470  .0558  .0063 -.0033  .0044
B2    .0149  .3328  .0298 .46  .0303  .0470  .0558  .0063 -.0033  .0044
O1    .0099  .0006  .1506      .0201  .0347  .0377  .0043 -.0027  .0018
O2    .0166  .3345  .1456      .0237  .0293  .0310  .0060 -.0025  .0000
O3    .1109  .1703 -.0097      .0863  .0825  .0877 -.0081  .0055  .0109
O4    .2106  .4612 -.0114      .0797  .0902  .0935 -.0005 -.0079  .0014
O5    .2212 -.1332 -.0096      .1020  .0990  .0961  .0117  .0014 -.0067
Oh1   .5106  .1632  .1498      .0235  .0347  .0354  .0069 -.0008 -.0016
Oh2   .3458  .0099  .2936      .0381  .0343  .0234  .0055  .0003 -.0043
Oh3   .3385  .3392  .2954      .0338  .0298  .0245  .0093 -.0006  .0008
Oh4   .8489  .1665  .2977      .0300  .0415  .0236  .0009  .0017 -.0034
Al11  .3377  .3244  .7244 .58  .0187  .0331  .0372  .0160 -.0000 -.0038
Li11  .3377  .3244  .7244 .41  .0187  .0331  .0372  .0160 -.0000 -.0038
Al22 -.1612  .4972  .7261 .72  .0192  .0285  .0299  .0127 -.0036  .0004
Li22 -.1612  .4972  .7261 .28  .0192  .0285  .0299  .0127 -.0036  .0004
Al33 -.1556  .1633  .7265 .73  .0173  .0282  .0296  .0144  .0019  .0004
Li33 -.1556  .1633  .7265 .26  .0173  .0282  .0296  .0144  .0019  .0004
Si11  .0131 -.0011  .5305  .6  .0367  .0453  .0671  .0128 -.0064  .0049
Al11  .0131 -.0011  .5305 .27  .0367  .0453  .0671  .0128 -.0064  .0049
B11   .0131 -.0011  .5305 .13  .0367  .0453  .0671  .0128 -.0064  .0049
Si22 -.4889  .1630  .5304 .41  .0249  .0337  .0700  .0162 -.0079  .0014
Al22 -.4889  .1630  .5304 .15  .0249  .0337  .0700  .0162 -.0079  .0014
B22  -.4889  .1630  .5304 .44  .0249  .0337  .0700  .0162 -.0079  .0014
O11   .0218  .0044  .6517      .0576  .0585  .0499  .0077 -.0006 -.0024
O22  -.4891  .1563  .6464      .0501  .0488  .0448  .0068  .0004 -.0016
O33   .3134  .0367  .4874      .0948  .0926  .0970 -.0014  .0042 -.0032
O44  -.5873  .3272  .4948      .1088  .1015  .1057  .0033 -.0082 -.0019
O55  -.1970  .1310  .4907      .1067  .1118  .1066  .0031  .0032  .0062
Oh11  .0032  .3302  .6500      .0503  .0400  .0382  .0072  .0010  .0004
Oh22 -.3176  .3230  .7943      .0255  .0304  .0275  .0109  .0022  .0033
Oh33  .1619  .4945  .7945      .0254  .0409  .0234  .0045 -.0031  .0054
Oh44  .1686  .1556  .7996      .0239  .0313  .0289  .0076  .0000  .0005
H1    .5271  .1890  .0894
H2    .3193  .0192  .3589
H3    .3639  .3464  .3606
H4    .8268  .1550  .3621
H11   .9866  .3046  .5903
H22   .6961  .3379  .8601
H33   .6895  .9835  .8598
H44   .1443  .1645  .8648
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Dozyite
 
Banfield J F, Bailey S W
Download am/vol81/AM81_79.pdf
American Mineralogist 81 (1996) 79-91
Formation of regularly interstatified serpentine-chlorite minerals by
tetrahedral inversion in long-period serpentine polytypes
_database_code_amcsd 0001773
5.323 9.214 21.381 90 90.00 90 Cm
atom     x     y     z
Mg       0     0     0
Mg   .0000 .3333 .0000
O    .3333     0 .0493
O    .3333 .3333 .0513
Si   .3333 .3333 .1278
O    .8333     0 .1554
O    .0833 .2500 .1554
O    .6667     0 .2865
O    .6667 .3333 .2865
Mg   .0000     0 .3333
Mg   .0000 .3333 .3333
O    .0000     0 .3801
O    .3333 .3333 .3801
O    .1667     0 .5112
O    .4167 .2500 .5112
Si   .6667 .3333 .5388
O    .6667     0 .6173
O    .6667 .3333 .6153
Mg   .0000     0 .6667
Mg   .0000 .3333 .6667
O    .3333     0 .7135
O    .3333 .3333 .7135
O    .1667     0 .8446
O    .4167 .2500 .8446
Si   .6667 .3333 .8722
O    .6667     0 .9507
O    .6667 .3333 .9487
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Cookeite
Download hom/cookeite.pdf
Zheng H, Bailey S W
Download am/vol82/AM82_1007.pdf
American Mineralogist 82 (1997) 1007-1013
Refinement of the cookeite "r" structure
_database_code_amcsd 0001949
5.158 8.940 28.498 90 96.6 90 Cc
atom     x      y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Al1  .4916  .5004 .0001      .0024  .0029  .0096 -.0003  .0015  .0005
Al2  .4896  .8368 .0000      .0146  .0144  .0175  .0002  .0022 -.0002
Al3  .5017 -.0051 .2502 .91  .0165  .0165  .0186  .0000  .0022  .0000
Li3  .5017 -.0051 .2502 .09  .0165  .0165  .0186  .0000  .0022  .0000
Al4  .5023  .3243 .2502 .91  .0107  .0105  .0139  .0003  .0020  .0000
Li4  .5023  .3243 .2502 .09  .0107  .0105  .0139  .0003  .0020  .0000
Li   .5005  .6681 .2509 .68  .0070  .0069  .0069 -.0001  .0007  .0000
Al   .5005  .6681 .2509 .21  .0070  .0069  .0069 -.0001  .0007  .0000
Si1  .3885 -.0114 .0959 .85  .0139  .0142  .0184 -.0002  .0026 -.0002
Al1  .3885 -.0114 .0959 .15  .0139  .0142  .0184 -.0002  .0026 -.0002
Si2  .4001  .6570 .0956 .85  .0102  .0100  .0152 -.0009  .0023 -.0001
Al2  .4001  .6570 .0956 .15  .0102  .0100  .0152 -.0009  .0023 -.0001
Si3  .5868  .3282 .4048 .85  .0293  .0293  .0311  .0006  .0037 -.0004
Al3  .5868  .3282 .4048 .15  .0293  .0293  .0311  .0006  .0037 -.0004
Si4  .5954  .6580 .4041 .49  .0021  .0024  .0098  .0005  .0021  .0000
Al4  .5954  .6580 .4041 .51  .0021  .0024  .0098  .0005  .0021  .0000
H1   .3865  .3174 .0675
H2   .5354 -.0015 .4355
H3   .1305 -.0108 .1816
H4   .1398  .3383 .1787
H5   .1056  .6578 .1810
H6   .3776  .1839 .3198
H7   .3761  .4885 .3186
H8   .3661  .8387 .3220
O1   .1127  .6158 .1130      .0371  .0372  .0375  .0001  .0045 -.0001
O2   .4818  .8234 .1184      .0220  .0221  .0226  .0000  .0026  .0007
O3   .6277  .5417 .1203      .0232  .0233  .0238  .0000  .0029  .0001
O4   .3203 -.0261 .0381      .0173  .0175  .0182 -.0001  .0022  .0000
O5   .4050  .6684 .0378      .0220  .0222  .0227  .0000  .0027  .0000
O6   .3649  .2095 .3799      .0227  .0230  .0234  .0000  .0028 -.0001
O7   .5112  .4910 .3791      .0283  .0283  .0289  .0000  .0032  .0001
O8   .8632  .2822 .3839      .0261  .0264  .0269  .0000  .0033  .0000
O9   .5840  .3319 .4631      .0033  .0039  .0051  .0003  .0010  .0001
O10  .6555  .6424 .4631      .0097  .0097  .0106 -.0001  .0015  .0002
Oh1  .3243  .3586 .0373      .0074  .0069  .0083  .0002  .0010 -.0001
Oh2  .6567  .0197 .4628      .0054  .0055  .0065 -.0003  .0011  .0000
Oh3  .1528 -.0150 .2157      .0204  .0204  .0206 -.0002  .0022  .0000
Oh4  .1604  .3429 .2142      .0082  .0084  .0090  .0001  .0009  .0000
Oh5  .1230  .6595 .2138      .0089  .0085  .0092  .0001  .0013 -.0001
Oh6  .3820  .1594 .2868      .0164  .0164  .0169 -.0001  .0021 -.0001
Oh7  .3497  .4827 .2849      .0345  .0346  .0347  .0001  .0041  .0000
Oh8  .3409  .8452 .2872      .0283  .0282  .0285  .0000  .0033  .0001
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Chlorite
 
Bailey S W
Download cm/vol24/CM24_649.pdf
The Canadian Mineralogist 24 (1986) 649-654
Re-evaluation of ordering and local charge-balance in Ia chlorite
_database_code_amcsd 0005213
5.329 9.246 14.442 90. 97.1 90. C-1
atom       x      y      z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
SiT1   .3968 -.0001  .1906  .75  .0054  .0014  .0010  .0001  .0003  .0001
AlT1   .3968 -.0001  .1906 .125  .0054  .0014  .0010  .0001  .0003  .0001
SiT2   .8970  .1667  .1908  .75  .0058  .0015  .0011 -.0001  .0003  .0000
AlT2   .8970  .1667  .1908 .375  .0058  .0015  .0011 -.0001  .0003  .0000
MgM1       0      0      0       .0039  .0011  .0010  .0000  .0003  .0000
MgM2  -.0009  .3334 .00006       .0041  .0012  .0010  .0001  .0002  .0000
MgM3   .0012  .1666 .50314       .0036  .0006  .0008  .0000  .0002  .0000
FeM4      .5      0     .5   .1  .0088  .0023  .0013  .0000  .0004  .0001
CrM4      .5      0     .5   .7  .0088  .0023  .0013  .0000  .0004  .0001
AlM4      .5      0     .5   .2  .0088  .0023  .0013  .0000  .0004  .0001
O1     .3590      0  .0766       .0045  .0016  .0012  .0004  .0004  .0001
O2     .8588  .1667  .0767       .0041  .0017  .0013  .0000  .0004  .0001
Oh1    .3578  .3331  .0734       .0060  .0019  .0013 -.0001  .0004  .0000
O3     .1467  .0691  .2319       .0121  .0046  .0016  .0016  .0006  .0002
O4     .6463  .0967  .2318       .0132  .0048  .0016 -.0015  .0003  .0000
O5     .9383  .3333  .2320       .0162  .0032  .0016  .0003  .0005  .0001
Oh2    .1517  .0018  .4291       .0113  .0024  .0010  .0003  .0004  .0001
Oh3    .1359  .3368  .4292       .0109  .0026  .0010 -.0004  .0003  .0000
Oh4    .6415  .1616  .4292       .0097  .0027  .0011  .0003  .0005  .0000
H1     .3670  .3314  .1405
H2     .0968  .0189  .3714
H3     .0816  .3356  .3681
H4     .6181  .1525  .3730 .95
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Protolithionite
 
Weiss Z, Rieder M, Smrcok L, Petricek V, Bailey S W
 
European Journal of Mineralogy 5 (1993) 493-502
Refinement of the crystal structures of two "protolithionites"
Sample : 1M
_database_code_amcsd 0006481
5.3655 9.293 10.198 90 100.47 90 C2/m
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
KMi      0    .5     0  .92  .0221  .0075  .0080      0  .0021      0
NaMi     0    .5     0  .09  .0221  .0075  .0080      0  .0021      0
CaMi     0    .5     0  .01  .0221  .0075  .0080      0  .0021      0
RbMi     0    .5     0  .01  .0221  .0075  .0080      0  .0021      0
AlM1     0     0    .5  .11  .0069  .0025  .0030      0  .0011      0
MgM1     0     0    .5  .01  .0069  .0025  .0030      0  .0011      0
FeM1     0     0    .5  .72  .0069  .0025  .0030      0  .0011      0
MnM1     0     0    .5  .03  .0069  .0025  .0030      0  .0011      0
LiM1     0     0    .5  .11  .0069  .0025  .0030      0  .0011      0
AlM2     0 .3307    .5  .18  .0060  .0026  .0029      0  .0006      0
MgM2     0 .3307    .5  .01  .0060  .0026  .0029      0  .0006      0
FeM2     0 .3307    .5  .65  .0060  .0026  .0029      0  .0006      0
MnM2     0 .3307    .5  .02  .0060  .0026  .0029      0  .0006      0
LiM2     0 .3307    .5  .11  .0060  .0026  .0029      0  .0006      0
SiT  .0755 .1666 .2253 .745  .0062  .0025  .0027      0  .0008      0
AlT  .0755 .1666 .2253 .255  .0062  .0025  .0027      0  .0008      0
O1   .0487     0 .1676       .0230  .0042  .0043      0  .0007      0
O2   .3085 .2466 .1671       .0162  .0068  .0040 -.0026  .0012 -.0001
O3   .1321 .1668 .3905       .0137  .0043  .0031  .0002  .0013      0
OH   .1245    .5 .3929  .49  .0093  .0059  .0038      0  .0011      0
F    .1245    .5 .3929 .495  .0093  .0059  .0038      0  .0011      0
Cl   .1245    .5 .3929 .015  .0093  .0059  .0038      0  .0011      0
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Protolithionite
 
Weiss Z, Rieder M, Smrcok L, Petricek V, Bailey S W
 
European Journal of Mineralogy 5 (1993) 493-502
Refinement of the crystal structures of two "protolithionites"
Sample : 3T
Note: x-coordinate of M3 changed in order to obey symmetry constraints
_database_code_amcsd 0006482
5.309 5.309 29.818 90 90 120 P3_112
atom      x      y      z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
KMi  -.1178  .1178  .8333  .92  .0265  .0265  .0008  .0136 -.0001 -.0001
NaMi -.1178  .1178  .8333  .03  .0265  .0265  .0008  .0136 -.0001 -.0001
RbMi -.1178  .1178  .8333  .04  .0265  .0265  .0008  .0136 -.0001 -.0001
CaMi -.1178  .1178  .8333  .01  .0265  .0265  .0008  .0136 -.0001 -.0001
FeM1  .8976  .4488      0  .67   .011   .011  .0002   .006  .0003  .0003
MnM1  .8976  .4488      0  .01   .011   .011  .0002   .006  .0003  .0003
LiM1  .8976  .4488      0  .12   .011   .011  .0002   .006  .0003  .0003
AlM2  .2356  .1178      0  .68   .011   .011  .0002   .010 -.0005 -.0005
FeM2  .2356  .1178      0  .25   .011   .011  .0002   .010 -.0005 -.0005
MnM2  .2356  .1178      0  .01   .011   .011  .0002   .010 -.0005 -.0005
FeM3  .5612  .7806      0  .67   .011   .011  .0004   .008 -.0004 -.0004
MnM3  .5612  .7806      0  .01   .011   .011  .0004   .008 -.0004 -.0004
LiM3  .5612  .7806      0  .25   .011   .011  .0004   .008 -.0004 -.0004
SiT1  .2212 -.2093 -.0913 .715   .010   .009  .0003  .0064  .0000  .0000
AlT1  .2212 -.2093 -.0913 .285   .010   .009  .0003  .0064  .0000  .0000
SiT2  .5496  .4454 -.0911  .77   .010   .007  .0002  .0048 -.0001  .0001
AlT2  .5496  .4454 -.0911  .23   .010   .007  .0002  .0048 -.0001  .0001
O1    .2330 -.1873 -.0362        .017   .023  .0005  .0011 -.0001  .0000
O2    .5372  .4269 -.0356        .019   .014  .0002   .009  .0001  .0002
O3    .3664  .1199 -.1132        .028   .014  .0004   .007 -.0001  .0001
O4   -.1163  .5963 -.1095        .018   .025  .0004   .007 -.0002 -.0003
O5    .4070 -.3622 -.1099        .028   .028  .0004   .020  .0004  .0004
OH   -.0683  .1137 -.0343  .47   .011   .011  .0003   .002  .0000 -.0002
F    -.0683  .1137 -.0343  .53   .011   .011  .0003   .002  .0000 -.0002
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Polylithionite
Download hom/polylithionite.pdf
Swanson T H, Bailey S W
 
Clays and Clay Minerals 29 (1981) 81-90
Redetermination of the lepidolite-2M_1 structure
Locality: Bikupice, Czech Republic
_database_code_amcsd 0012230
5.199 9.026 19.9690 90 95.41 90 C2/c
atom       x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)  B(2,3)
K          0 .0891   .25     1.74  .0122  .0052 .00138      0  .0002       0
LiM1     .25   .75     0 .93 1.89  .0122  .0045  .0018 -.0036  .0014  -.0011
Fe3+M1 .7569 .5860 .0000 .01 1.89  .0022  .0017 .00075  .0001  .0003   .0002
MgM1   .7569 .5860 .0000 .06 1.89  .0022  .0017 .00075  .0001  .0003   .0002
AlM2   .7569 .5860 .0000 .58  .66  .0022  .0017 .00075  .0001  .0003   .0002
LiM2   .7569 .5860 .0000 .35  .66  .0022  .0017 .00075  .0001  .0003   .0002
Si1    .4620 .9230 .1342      .69  .0027  .0018 .00075 -.0009  .0004  .00005
Si2    .9572 .7550 .1342      .78  .0036  .0016 .00090 -.0001  .0003  .00004
O1     .4433 .9262 .0529     1.31  .0074  .0042  .0011 -.0029  .0003   .0002
O2     .9173 .7527 .0529     1.31  .0062  .0051  .0010 -.0001  .0002   .0006
O3     .9398 .5882 .1667     1.53  .0146  .0024  .0014  .0013  .0009 -.00001
O4     .2358 .8230 .1631     1.24  .0030  .0045  .0012 -.0005  .0001   .0002
O5     .7362 .8542 .1662     1.52  .0102  .0042  .0013  .0013  .0004  -.0001
F      .4454 .5720 .0497 .76 2.58  .0347  .0083  .0008  .0098  .0002   .0004
OH     .4454 .5720 .0497 .24 2.58  .0347  .0083  .0008  .0098  .0002   .0004
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Muscovite
Download hom/muscovite.pdf
Rule A C, Bailey S W
 
Clays and Clay Minerals 33 (1985) 403-409
Refinement of the crystal structure of phengite-2M1
Locality: Rio de Oro, Spanish Sahara
_database_code_amcsd 0019604
5.2153 9.043 19.974 90 95.789 90 C2/c
atom       x      y      z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)  B(2,3)
K          0  .0971    .25 .948 1.946  .0184  .0058 .00124      0 .00030       0
Na         0  .0971    .25 .051 1.946  .0184  .0058 .00124      0 .00030       0
Ba         0  .0971    .25 .027 1.946  .0184  .0058 .00124      0 .00030       0
AlM2   .2486 .08292 .00003 .742  .814  .0175 .00205 .00061  .0000 .00012  .00007
MgM2   .2486 .08292 .00003 .134  .814  .0175 .00205 .00061  .0000 .00012  .00007
FeM2   .2486 .08292 .00003 .071  .814  .0175 .00205 .00061  .0000 .00012  .00007
CrM2   .2486 .08292 .00003 .047  .814  .0175 .00205 .00061  .0000 .00012  .00007
TiM2   .2486 .08292 .00003 .005  .814  .0175 .00205 .00061  .0000 .00012  .00007
MnM2   .2486 .08292 .00003 .001  .814  .0175 .00205 .00061  .0000 .00012  .00007
SiT1   .4643 .92930 .13565 .813  .524  .0053 .00113 .00040 -.0001 .00016  .00005
AlT1   .4643 .92930 .13565 .187  .524  .0053 .00113 .00040 -.0001 .00016  .00005
SiT2   .4522 .25864 .13565 .813  .518  .0048 .00134 .00038  .0001 .00005  .00003
AlT2   .4522 .25864 .13565 .187  .518  .0048 .00134 .00038  .0001 .00005  .00003
O1     .4582  .9402  .0541       .952  .0104  .0028 .00052 -.0002  .0001  .00013
O2     .3916  .2516  .0541       .965  .0097  .0031 .00053  .0001  .0001  .00015
O3     .4335  .0933  .1689      1.294  .0170  .0026 .00076  .0004  .0005   .0000
O4     .2410  .8206  .1598      1.374  .0124  .0049 .00075 -.0021  .0000   .0003
O5     .2410  .3621  .1691      1.264  .0119  .0041 .00074  .0022  .0002   .0000
O6     .4556  .5643  .0519      1.161  .0125  .0031 .00071  .0008  .0005 -.00030
H      .3443  .6435   .048        2.0
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Muscovite
Download hom/muscovite.pdf
Knurr R A, Bailey S W
 
Clays and Clay Minerals 34 (1986) 7-16
Refinement of Mn-substituted muscovite and phlogopite
Sample: alurgite, type 2M1
Locality: Minas Gerais, Brazil
_database_code_amcsd 0019597
5.2044 9.018 20.073 90 95.82 90 C2/c
atom     x      y      z occ  Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
K        0  .0988    .25 .93 1.895  .0175  .0062 .00112       0 .00061       0
Na       0  .0988    .25 .05 1.895  .0175  .0062 .00112       0 .00061       0
Ba       0  .0988    .25 .01 1.895  .0175  .0062 .00112       0 .00061       0
AlM2 .2498 .08320 .00004 .86  .551  .0033 .00183 .00044 -.00009 .00029  .00006
MgM2 .2498 .08320 .00004 .05  .551  .0033 .00183 .00044 -.00009 .00029  .00006
FeM2 .2498 .08320 .00004 .07  .551  .0033 .00183 .00044 -.00009 .00029  .00006
MnM2 .2498 .08320 .00004 .01  .551  .0033 .00183 .00044 -.00009 .00029  .00006
TiM2 .2498 .08320 .00004 .01  .551  .0033 .00183 .00044 -.00009 .00029  .00006
SiT1 .4650 .92992 .13554 .76  .668  .0048 .00204 .00052 -.00001  .0035  .00006
AlT1 .4650 .92992 .13554 .24  .668  .0048 .00204 .00052 -.00001  .0035  .00006
SiT2 .4514 .25874 .13556 .76  .664  .0046 .00213 .00051   .0001 .00027  .00003
AlT2 .4514 .25874 .13556 .24  .664  .0046 .00213 .00051   .0001 .00027  .00003
O1   .4616  .9437 .05368      .977  .0078  .0034 .00062   .0004  .0004  .00006
O2   .3853  .2518 .05373      .957  .0089  .0030 .00059  -.0001  .0004  .00011
O3   .4195  .0933 .16851     1.349  .0149  .0036 .00081   .0004  .0009 -.00002
O4   .2489  .8126  .1577     1.485  .0108  .0054 .00097  -.0015  .0001  .00050
O5   .2484  .3692  .1689     1.324  .0105  .0047 .00083   .0016  .0003 -.00017
O6   .4576  .5621 .05076     1.131  .0094  .0036 .00076  -.0003  .0008 -.00024
H    .3792  .6505  .0595       2.0
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Phlogopite
Download hom/phlogopite.pdf
Knurr R A, Bailey S W
 
Clays and Clay Minerals 34 (1986) 7-16
Refinement of Mn-substituted muscovite and phlogopite
Sample: manganophyllite, type 1M
Locality: Langban, Sweden
_database_code_amcsd 0019598
5.316 9.221 10.282 90 99.90 90 C2/m
atom      x      y      z occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
K         0      0      0 .84 2.351  .0206  .0077  .0053      0  .0019      0
Na        0      0      0 .07 2.351  .0206  .0077  .0053      0  .0019      0
Ba        0      0      0 .02 2.351  .0206  .0077  .0053      0  .0019      0
MgM1      0     .5     .5 .84  .989  .0052  .0027  .0036      0  .0013      0
Fe3+M1    0     .5     .5 .06  .989  .0052  .0027  .0036      0  .0013      0
Mn2+M1    0     .5     .5 .04  .989  .0052  .0027  .0036      0  .0013      0
AlM1      0     .5     .5 .04  .989  .0052  .0027  .0036      0  .0013      0
TiM1      0     .5     .5 .01  .989  .0052  .0027  .0036      0  .0013      0
MgM2      0  .1680     .5 .84  .902  .0042  .0026 .00332      0  .0009      0
Fe3+M2    0  .1680     .5 .06  .902  .0042  .0026 .00332      0  .0009      0
Mn2+M2    0  .1680     .5 .04  .902  .0042  .0026 .00332      0  .0009      0
AlM2      0  .1680     .5 .04  .902  .0042  .0026 .00332      0  .0009      0
TiM2      0  .1680     .5 .01  .902  .0042  .0026 .00332      0  .0009      0
SiT   .0754 .33318 .22758 .70  .701  .0035 .00203 .00251  .0000 .00095 .00003
AlT   .0754 .33318 .22758 .30  .701  .0035 .00203 .00251  .0000 .00095 .00003
O1    .3321  .2753  .1703     1.480  .0102  .0053  .0037  .0021  .0022  .0007
O2    .0065     .5  .1709     1.435  .0145  .0034  .0038      0 -.0002      0
O3    .1302  .3331  .3817      .975  .0057  .0029  .0032 -.0001  .0011  .0001
O4    .1392      0  .3993 .95  .989  .0062  .0031  .0030      0  .0009      0
F4    .1392      0  .3993 .05  .989  .0062  .0031  .0030      0  .0009      0
H       .12      0   .325 .95   2.0
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Nacrite
Download hom/nacrite.pdf
Zheng H, Bailey S W
 
Clays and Clay Minerals 42 (1994) 46-52
Refinement of the nacrite structure
Locality: Red Mountain near Silverton, Colorado, USA
_database_code_amcsd 0012238
8.906 5.146 15.664 90 113.58 90 Cc
atom     x     y      z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Al1  .1552 .3198  .2177  .0034  .0090  .0017  .0000  .0012 -.0002
Al2  .4901 .3245  .2173  .0033  .0082  .0021 -.0003  .0016 -.0002
Sil  .2012 .4700  .0277  .0034  .0052  .0021 -.0001  .0016  .0000
Si2  .3715 .9831  .0270  .0036  .0065  .0017 -.0002  .0013 -.0001
O1   .2411 .7499 -.0041  .0047  .0097  .0023  .0028  .0014  .0005
O2   .2723 .2470 -.0188  .0053  .0080  .0023 -.0013  .0019  .0000
O3   .0029 .4417 -.0193  .0034  .0124  .0019 -.0004  .0012  .0003
O4   .2696 .4385  .1385  .0021  .0047  .0024 -.0004  .0014 -.0001
O5   .4618 .0110  .1381  .0040  .0115  .0020 -.0026  .0014  .0004
Oh1  .0795 .0118  .1432  .0053  .0095  .0023  .0024  .0021  .0006
Oh2  .5580 .6342  .2838  .0054  .0118  .0020 -.0016  .0018  .0000
Oh3  .1780 .6296  .2825  .0043  .0099  .0019  .0007  .0012  .0000
Oh4  .3693 .2066  .2826  .0049  .0154  .0016 -.0010  .0013 -.0010
H1   .6346 .4510  .1277
H2   .5475 .6736  .3279
H3   .2432 .6096  .3296
H4   .4317 .1386  .3228
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Amesite
Download hom/amesite.pdf
Zheng H, Bailey S W
 
Clays and Clay Minerals 45 (1997) 301-310
Refinement of an amesite-2H1 polytype from Postmasburg, South Africa
Note: polytype 2H1
Locality: Postmasburg, South Africa
_database_code_amcsd 0018811
5.299 9.181 14.050 90.06 90.30 90.00 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)
MgM1  .1699 .1695  .2341 .87 .0076   .007   .007   .009 -.0012  .0005  .0006
AlM1  .1699 .1695  .2341 .13 .0076   .007   .007   .009 -.0012  .0005  .0006
AlM2  .6663 .0007  .2341 .62 .0092   .008   .008   .011 -.0017  .0004  .0007
MgM2  .6663 .0007  .2341 .38 .0092   .008   .008   .011 -.0017  .0004  .0007
MgM3  .6697 .3322  .2345 .85 .0082   .007   .007   .010 -.0013  .0006  .0007
AlM3  .6697 .3322  .2345 .15 .0082   .007   .007   .010 -.0013  .0006  .0007
SiT1  .5000 .1667  .0383 .72 .0084   .007   .007   .011 -.0031  .0012  .0008
AlT1  .5000 .1667  .0383 .28 .0084   .007   .007   .011 -.0031  .0012  .0008
AlT2  .0012 .3360  .0388 .72  .011   .009   .010   .013 -.0035  .0010  .0010
SiT2  .0012 .3360  .0388 .28  .011   .009   .010   .013 -.0035  .0010  .0010
O1     .497 .1632  .1582      .008   .007   .007   .008  -.001   .000   .000
O2    -.003 .3375  .1614      .011   .010   .011   .011   .000   .000   .000
O3     .584 .0036 -.0023      .016   .016   .016   .017   .000   .001   .000
O4     .215  .212 -.0036      .016   .016   .016   .017  -.001   .000   .001
O5     .707  .292  .0017      .020   .020   .020   .021  -.001   .000   .001
Oh1   -.011 -.001  .1615      .011   .011   .011   .012   .000   .000   .000
Oh2    .330 -.003  .3030      .024  .0242  .0245  .0239   .000   .000   .000
Oh3    .326  .336  .3029      .022   .022   .023   .022   .000   .000   .000
Oh4   -.173  .159   .303      .018   .018   .018   .017   .000   .000   .000
AlM11 .3406 .3348  .7342 .50 .0081   .008   .007   .010 -.0019  .0004  .0005
MgM11 .3406 .3348  .7342 .50 .0081   .008   .007   .010 -.0019  .0004  .0005
MgM22 .3430 .0030  .7345 .90 .0089   .007   .009   .010 -.0015 -.0002  .0007
AlM22 .3430 .0030  .7345 .10 .0089   .007   .009   .010 -.0015 -.0002  .0007
AlM33 .8409 .1706  .7343 .50 .0081   .007   .007   .010 -.0022  .0004  .0003
MgM33 .8409 .1706  .7343 .50 .0081   .007   .007   .010 -.0022  .0004  .0003
AlT11 .5097 .1706  .5390 .72  .012   .012   .011   .014 -.0032  .0010  .0010
SiT11 .5097 .1706  .5390 .28  .012   .012   .011   .014 -.0032  .0010  .0010
SiT22 .0083 .3344  .5386 .72  .010   .010   .010   .012 -.0021  .0006  .0005
AlT22 .0083 .3344  .5386 .28  .010   .010   .010   .012 -.0021  .0006  .0005
Oll    .519  .178   .662      .012   .012   .011   .012  -.002   .000   .001
O22    .018  .333  .6581      .014   .013   .014   .014   .000   .000   .000
O33    .429 .0003  .5001      .014   .014   .014   .015   .000   .000   .001
O44    .290  .290  .4960      .015   .015   .015   .016   .000   .000   .000
O55    .799  .213  .4972      .022   .022   .022   .022   .000   .000   .000
Ohll   .007  .004  .6627      .013   .013   .014   .014   .000   .000   .000
Oh22   .179  .177  .8037      .019   .019   .019   .019   .000   .000   .000
Oh33   .191  .505  .8040      .015   .015   .015   .015  -.001   .000   .000
Oh44   .677  .333  .8047      .018   .018   .018   .017  -.001   .000   .000
H1     .984  .998   .089
H2     .353  .969   .371
H3     .308  .325   .374
H4     .846  .169   .378
H11    .006  .004   .588
H22    .190  .197   .876
H33    .162  .505   .878
H44    .685  .315   .876
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Total number of retrieved datasets: 32
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