|
Clinochlore |
 |
Brown B E, Bailey S W |
 |
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 |
|
Bailey S W |
|
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 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Greenalite |
|
Shirozu H, Bailey S W |
|
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 |
|
Shirozu H, Bailey S W |
|
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 |
|
Eggleton R A, Bailey S W |
|
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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View JMOL 3-D Structure
|
| |
|
Chlorite |
| |
Lister J S, Bailey S W |
|
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 |
|
Bailey S W |
|
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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View JMOL 3-D Structure
|
| |
|
Margarite-2M1 |
| |
Guggenheim S, Bailey S W |
|
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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View JMOL 3-D Structure
|
| |
|
Zinnwaldite |
|
Guggenheim S, Bailey S W |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Margarite |
|
Guggenheim S, Bailey S W |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinochlore |
|
Phillips T L, Loveless J K, Bailey S W |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinochlore |
|
Phillips T L, Loveless J K, Bailey S W |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Amesite |
|
Anderson C S, Bailey S W |
|
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 |
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5.307 9.195 14.067 90.1 90.3 90 C1 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
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. |
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H11 .982 .387 .624 2. |
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H22 .689 .382 .869 2. |
|
H33 .677 .962 .863 2. |
|
H44 .145 .151 .871 2. |
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| |
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Kanonaite |
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Weiss Z, Bailey S W, Rieder M |
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American Mineralogist 66 (1981) 561-567 |
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Refinement of the crystal structure of kanonaite, (Mn,Al)(Al,Mn)O[SiO4] |
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_database_code_amcsd 0000833 |
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7.959 8.047 5.616 90 90 90 Pnnm |
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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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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 |
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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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|
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|
| |
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Paragonite |
|
Lin C Y, Bailey S W |
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American Mineralogist 69 (1984) 122-127 |
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The crystal structure of paragonite-2M1 |
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_database_code_amcsd 0000924 |
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5.128 8.898 19.287 90 94.35 90 C2/c |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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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 |
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Al2 .4401 .2578 .1409 .265 0.0056 0.0016 0.00116 0.00010 0.00020 0.00002 |
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Si2 .4401 .2578 .1409 .735 0.0056 0.0016 0.00116 0.00010 0.00020 0.00002 |
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Al2 .2499 .0832 -.00002 0.0051 0.0015 0.00112 -.00060 -.00010 0.00012 |
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Na 0 .0941 .25 0.0218 0.0095 0.00210 -.00410 0.00250 0.00130 |
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O1 .9574 .4439 .0554 0.0051 0.0020 0.00140 0.00080 -.00010 0.00001 |
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O2 .3795 .2516 .0554 0.0074 0.0015 0.00130 -.00020 0.00020 0.00008 |
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O3 .3739 .0914 .1743 0.0134 0.0027 0.00150 -.00070 0.00040 0.00020 |
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O4 .7491 .2960 .1628 0.1221 0.0029 0.00150 -.00010 0.00040 0.00050 |
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O5 .2475 .3818 .1748 0.0111 0.0026 0.00160 0.00090 0.00070 0.00000 |
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Oh .9518 .0628 .0512 0.0061 0.0024 0.00130 -.00080 0.00040 -.00050 |
|
H .8866 .1458 .0706 |
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|
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| |
|
Anandite |
|
Filut M A, Rule A C, Bailey S W |
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American Mineralogist 70 (1985) 1298-1308 |
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Crystal structure refinement of anandite-2Or, a barium- |
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and sulfur-bearing trioctahedral mica |
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_database_code_amcsd 0001004 |
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5.439 9.509 19.878 90 90 90 Pnmn |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba .6679 .0000 .2553 .955 2.04 .0167 .0091 .0005 0 .0000 0 |
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K .6679 .0000 .2553 .032 2.04 .0167 .0091 .0005 0 .0000 0 |
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Na .6679 .0000 .2553 .013 2.04 .0167 .0091 .0005 0 .0000 0 |
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MgM1 .0000 .0000 .0000 .53 .73 .0069 .0023 .0004 0 .0001 0 |
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FeM1 .0000 .0000 .0000 .4 .73 .0069 .0023 .0004 0 .0001 0 |
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AlM1 .0000 .0000 .0000 .07 .73 .0069 .0023 .0004 0 .0001 0 |
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FeM2 .5000 .5000 .0000 .83 .0095 .0022 .0004 0 -.0003 0 |
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FeM3 .0000 .6559 .0000 .88 .0064 .0038 .0003 0 .0001 0 |
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FeM4 .5000 .1690 .0000 .81 .80 .0078 .0022 .0004 0 -.0000 0 |
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MgM4 .5000 .1690 .0000 .04 .80 .0078 .0022 .0004 0 -.0000 0 |
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MnM4 .5000 .1690 .0000 .08 .80 .0078 .0022 .0004 0 -.0000 0 |
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AlM4 .5000 .1690 .0000 .07 .80 .0078 .0022 .0004 0 -.0000 0 |
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SiT1 .1665 .1617 .1387 .69 .0092 .0021 .0001 -.0000 .0000 -.0000 |
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SiT2 .6701 .6667 .1403 .3 1.10 .0098 .0044 .0003 .0002 .0000 .0002 |
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FeT2 .6701 .6667 .1403 .7 1.10 .0098 .0044 .0003 .0002 .0000 .0002 |
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O1 .1593 .1625 .0576 .75 .0092 .0024 .0002 -.0000 .0004 -.0000 |
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O2 .6762 .6688 .0506 1.05 .0060 .0029 .0009 -.0004 .0005 .0003 |
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O3 .4124 .2293 .1706 2.36 .0188 .0100 .0008 -.0040 -.0017 .0003 |
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O4 .9264 .7671 .1734 2.16 .0171 .0099 .0006 -.0040 .0016 .0004 |
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O5 .1638 .0000 .1656 3.95 .0868 .0027 .0004 0 .0000 0 |
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O6 .6621 .5000 .1811 2.64 .0178 .0127 .0008 0 .0002 0 |
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OH .6674 .0000 .0509 .96 |
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S .1665 .5000 .0838 1.88 .0109 .0030 .0004 0 -.0001 0 |
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HS .6709 .0000 .0903 2.00 |
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|
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|
| |
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Clintonite-1M |
| |
MacKinney J A, Mora C I, Bailey S W |
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American Mineralogist 73 (1988) 365-375 |
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Structure and crystal chemistry of clintonite |
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Sample from Chichibu mine |
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_database_code_amcsd 0001141 |
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5.197 9.002 9.812 90 100.32 90 C2/m |
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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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Si .5705 .1670 .2101 .27 .0055 .0017 .0014 -.0000 .0005 -.0000 |
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Al .5705 .1670 .2101 .72 .0055 .0017 .0014 -.0000 .0005 -.0000 |
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Fe .5705 .1670 .2101 .01 .0055 .0017 .0014 -.0000 .0005 -.0000 |
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Mg1 0 .5 .5 .8 .0042 .0013 .0016 0 .0004 0 |
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Al1 0 .5 .5 .17 .0042 .0013 .0016 0 .0004 0 |
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Fe1 0 .5 .5 .03 .0042 .0013 .0016 0 .0004 0 |
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Mg2 .5 .3292 .5 .65 .0042 .0014 .0015 0 .0004 0 |
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Al2 .5 .3292 .5 .35 .0042 .0014 .0015 0 .0004 0 |
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Ca .5 .5 0 .0069 .0021 .0014 0 .0004 0 |
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O1 .4265 0 .1523 .0089 .0029 .0021 0 -.0000 0 |
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O2 .8627 .1878 .1512 .0089 .0032 .0021 -.0007 .0011 -.0004 |
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O3 .6316 .1689 .3889 .0102 .0028 .0018 -.0001 .0006 .0000 |
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Oh .6277 .5 .3990 .0093 .0047 .0013 0 .0001 0 |
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H .095 0 .313 |
|
|
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View JMOL 3-D Structure
|
| |
|
Clintonite-1M |
| |
MacKinney J A, Mora C I, Bailey S W |
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American Mineralogist 73 (1988) 365-375 |
|
Structure and crystal chemistry of clintonite |
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Sample from Ertsberg, Irian Jaya |
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_database_code_amcsd 0001142 |
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5.199 9.005 9.812 90 100.30 90 C2/m |
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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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Si .5703 .1670 .2100 .28 .0051 .0019 .0011 -.0000 .0005 .0000 |
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Al .5703 .1670 .2100 .7 .0051 .0019 .0011 -.0000 .0005 .0000 |
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Fe .5703 .167 .21 .02 .0051 .0019 .0011 .0000 .0005 .0000 |
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Mg1 0 .5 .5 .75 .0034 .0014 .0013 0 .0004 0 |
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Al1 0 .5 .5 .18 .0034 .0014 .0013 0 .0004 0 |
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Fe1 0 .5 .5 .07 .0034 .0014 .0013 0 .0004 0 |
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Mg2 .5 .3292 .5 .67 .0035 .0013 .0011 0 .0005 0 |
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Al2 .5 .3292 .5 .33 .0035 .0013 .0011 0 .0005 0 |
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Ca .5 .5 0 .0075 .0026 .0012 0 .0005 0 |
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O1 .4260 0 .1528 .0094 .0032 .0019 0 .0001 0 |
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O2 .8631 .1876 .1513 .0091 .0037 .0020 -.0008 .0010 -.0004 |
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O3 .6311 .1685 .3887 .0094 .0030 .0016 .0000 .0006 -.0004 |
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Oh .6281 .5 .3981 .0088 .0047 .0009 0 .0002 0 |
|
H .088 0 .303 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clintonite-1M |
| |
MacKinney J A, Mora C I, Bailey S W |
|
American Mineralogist 73 (1988) 365-375 |
|
Structure and crystal chemistry of clintonite |
|
Sample from Edenvill, Orange Country, New York |
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_database_code_amcsd 0001143 |
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5.200 9.005 9.779 90 100.30 90 C2/m |
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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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Si .5703 .1669 .2096 .33 .0044 .0014 .0015 .0000 .0007 .0000 |
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Al .5703 .1669 .2096 .67 .0044 .0014 .0015 .0000 .0007 .0000 |
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Mg1 0 .5 .5 .8 .0034 .0008 .0018 0 .0008 0 |
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Al1 0 .5 .5 .16 .0034 .0008 .0018 0 .0008 0 |
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Fe1 0 .5 .5 .04 .0034 .0008 .0018 0 .0008 0 |
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Mg2 .5 .3302 .5 .68 .0039 .0012 .0018 0 .0007 0 |
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Al2 .5 .3302 .5 .27 .0039 .0012 .0018 0 .0007 0 |
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Fe2 .5 .3302 .5 .04 .0039 .0012 .0018 0 .0007 0 |
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Ca .5 .5 0 .0077 .0024 .0026 0 .0010 0 |
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O1 .4295 0 .1508 .0115 .0030 .0023 0 .0003 0 |
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O2 .8609 .1895 .1500 .0101 .0035 .0024 -.0009 .0016 -.0004 |
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O3 .6306 .1681 .3877 .0080 .0022 .0018 -.0000 .0007 -.0000 |
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Oh .6291 .5 .3977 .0083 .0033 .0014 0 .0003 0 |
|
H .1065 0 .31 |
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|
| Download AMC data (View Text File)
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|
| |
|
Franklinfurnaceite |
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Peacor D R, Rouse R C, Bailey S W |
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American Mineralogist 73 (1988) 876-887 |
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Crystal structure of franklinfurnaceite: A tri-dioctahedral zincosilicate |
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intermediate between chlorite and mica |
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_database_code_amcsd 0001192 |
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5.483 9.39 14.51 90 97.04 90 C2 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .4462 .0087 .3309 .007 .008 .009 .000 -.001 .001 |
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Mn1 0 0 0 .55 .005 .006 .013 0 .000 0 |
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Mg1 0 0 0 .3 .005 .006 .013 0 .000 0 |
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Zn1 0 0 0 .15 .005 .006 .013 0 .000 0 |
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Mn2 0 .3230 0 .007 .005 .010 0 .000 0 |
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Mn3 0 .6707 0 .95 .005 .007 .013 0 -.002 0 |
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Mg3 0 .6707 0 .05 .005 .007 .013 0 -.002 0 |
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Fe4 0 .1757 .5 .75 .006 .008 .010 0 -.002 0 |
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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 |
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Zn5 0 .8412 .5 .15 .007 .007 .009 0 -.001 0 |
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Zn .9041 .1742 .1993 .007 .008 .009 .000 -.001 -.001 |
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Si .9066 .8404 .2043 .005 .006 .004 .001 -.001 -.001 |
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O1 .3726 .3381 .0907 .006 .010 .018 .001 .002 -.002 |
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O2 .3617 .6779 .0661 .005 .015 .006 -.003 -.003 .002 |
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O3 .1382 .3309 .2440 .010 .006 .011 .000 -.002 -.003 |
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O4 .0820 .7054 .2446 .009 .011 .007 .007 .001 .003 |
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O5 .0439 -.0110 .2442 .009 .009 .013 -.003 -.007 .002 |
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OH1 .2764 .1861 .4184 .019 .018 .008 .004 .002 -.002 |
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OH2 .3021 .8199 .4190 .006 .011 .005 -.002 .000 .003 |
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OH3 .3711 -.0190 .0701 .007 .019 .010 -.001 -.009 .000 |
|
OH4 .8441 .0154 .4167 .006 .016 .016 .005 -.008 -.002 |
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|
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|
| |
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Manandonite |
|
Zheng H, Bailey S W |
|
American Mineralogist 80 (1995) 387-393 |
|
The crystal structure of manandonite-2H2 |
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_database_code_amcsd 0001732 |
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5.070 8.776 13.778 90.09 90.12 89.97 C1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1 .1693 .1705 .2250 .71 .0245 .0319 .0365 .0076 -.0026 .0018 |
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Li1 .1693 .1705 .2250 .29 .0245 .0319 .0365 .0076 -.0026 .0018 |
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Al2 .6770 .0003 .2256 .71 .0265 .0320 .0334 .0069 .0020 .0014 |
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Li2 .6770 .0003 .2256 .28 .0265 .0320 .0334 .0069 .0020 .0014 |
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Al3 .6739 .3347 .2247 .6 .0273 .0378 .0325 .0073 -.0011 -.0028 |
|
Li3 .6739 .3347 .2247 .39 .0273 .0378 .0325 .0073 -.0011 -.0028 |
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Si1 .0120 .0002 .0298 .62 .0084 .0279 .0848 .0122 -.0057 -.0027 |
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Al4 .0120 .0002 .0298 .29 .0084 .0279 .0848 .0122 -.0057 -.0027 |
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B1 .0120 .0002 .0298 .09 .0084 .0279 .0848 .0122 -.0057 -.0027 |
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Si2 .0149 .3328 .0298 .4 .0303 .0470 .0558 .0063 -.0033 .0044 |
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Al2 .0149 .3328 .0298 .14 .0303 .0470 .0558 .0063 -.0033 .0044 |
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B2 .0149 .3328 .0298 .46 .0303 .0470 .0558 .0063 -.0033 .0044 |
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O1 .0099 .0006 .1506 .0201 .0347 .0377 .0043 -.0027 .0018 |
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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 |
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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 |
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Si11 .0131 -.0011 .5305 .6 .0367 .0453 .0671 .0128 -.0064 .0049 |
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Al11 .0131 -.0011 .5305 .27 .0367 .0453 .0671 .0128 -.0064 .0049 |
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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 |
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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 |
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H1 .5271 .1890 .0894 |
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H2 .3193 .0192 .3589 |
|
H3 .3639 .3464 .3606 |
|
H4 .8268 .1550 .3621 |
|
H11 .9866 .3046 .5903 |
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H22 .6961 .3379 .8601 |
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H33 .6895 .9835 .8598 |
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H44 .1443 .1645 .8648 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Dozyite |
| |
Banfield J F, Bailey S W |
|
American Mineralogist 81 (1996) 79-91 |
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Formation of regularly interstatified serpentine-chlorite minerals by |
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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 |
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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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cookeite |
|
Zheng H, Bailey S W |
|
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 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1 .4916 .5004 .0001 .0024 .0029 .0096 -.0003 .0015 .0005 |
|
Al2 .4896 .8368 .0000 .0146 .0144 .0175 .0002 .0022 -.0002 |
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Al3 .5017 -.0051 .2502 .91 .0165 .0165 .0186 .0000 .0022 .0000 |
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Li3 .5017 -.0051 .2502 .09 .0165 .0165 .0186 .0000 .0022 .0000 |
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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 |
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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 |
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Al3 .5868 .3282 .4048 .15 .0293 .0293 .0311 .0006 .0037 -.0004 |
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Si4 .5954 .6580 .4041 .49 .0021 .0024 .0098 .0005 .0021 .0000 |
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Al4 .5954 .6580 .4041 .51 .0021 .0024 .0098 .0005 .0021 .0000 |
|
H1 .3865 .3174 .0675 |
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H2 .5354 -.0015 .4355 |
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H3 .1305 -.0108 .1816 |
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H4 .1398 .3383 .1787 |
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H5 .1056 .6578 .1810 |
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H6 .3776 .1839 .3198 |
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H7 .3761 .4885 .3186 |
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H8 .3661 .8387 .3220 |
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O1 .1127 .6158 .1130 .0371 .0372 .0375 .0001 .0045 -.0001 |
|
O2 .4818 .8234 .1184 .0220 .0221 .0226 .0000 .0026 .0007 |
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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 |
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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 |
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O9 .5840 .3319 .4631 .0033 .0039 .0051 .0003 .0010 .0001 |
|
O10 .6555 .6424 .4631 .0097 .0097 .0106 -.0001 .0015 .0002 |
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Oh1 .3243 .3586 .0373 .0074 .0069 .0083 .0002 .0010 -.0001 |
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Oh2 .6567 .0197 .4628 .0054 .0055 .0065 -.0003 .0011 .0000 |
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Oh3 .1528 -.0150 .2157 .0204 .0204 .0206 -.0002 .0022 .0000 |
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Oh4 .1604 .3429 .2142 .0082 .0084 .0090 .0001 .0009 .0000 |
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Oh5 .1230 .6595 .2138 .0089 .0085 .0092 .0001 .0013 -.0001 |
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Oh6 .3820 .1594 .2868 .0164 .0164 .0169 -.0001 .0021 -.0001 |
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Oh7 .3497 .4827 .2849 .0345 .0346 .0347 .0001 .0041 .0000 |
|
Oh8 .3409 .8452 .2872 .0283 .0282 .0285 .0000 .0033 .0001 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chlorite |
| |
Bailey S W |
|
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 |
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AlT2 .8970 .1667 .1908 .375 .0058 .0015 .0011 -.0001 .0003 .0000 |
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MgM1 0 0 0 .0039 .0011 .0010 .0000 .0003 .0000 |
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MgM2 -.0009 .3334 .00006 .0041 .0012 .0010 .0001 .0002 .0000 |
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MgM3 .0012 .1666 .50314 .0036 .0006 .0008 .0000 .0002 .0000 |
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FeM4 .5 0 .5 .1 .0088 .0023 .0013 .0000 .0004 .0001 |
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CrM4 .5 0 .5 .7 .0088 .0023 .0013 .0000 .0004 .0001 |
|
AlM4 .5 0 .5 .2 .0088 .0023 .0013 .0000 .0004 .0001 |
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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 |
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O3 .1467 .0691 .2319 .0121 .0046 .0016 .0016 .0006 .0002 |
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O4 .6463 .0967 .2318 .0132 .0048 .0016 -.0015 .0003 .0000 |
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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 |
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Oh4 .6415 .1616 .4292 .0097 .0027 .0011 .0003 .0005 .0000 |
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H1 .3670 .3314 .1405 |
|
H2 .0968 .0189 .3714 |
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H3 .0816 .3356 .3681 |
|
H4 .6181 .1525 .3730 .95 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
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CaMi 0 .5 0 .01 .0221 .0075 .0080 0 .0021 0 |
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RbMi 0 .5 0 .01 .0221 .0075 .0080 0 .0021 0 |
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AlM1 0 0 .5 .11 .0069 .0025 .0030 0 .0011 0 |
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MgM1 0 0 .5 .01 .0069 .0025 .0030 0 .0011 0 |
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FeM1 0 0 .5 .72 .0069 .0025 .0030 0 .0011 0 |
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MnM1 0 0 .5 .03 .0069 .0025 .0030 0 .0011 0 |
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LiM1 0 0 .5 .11 .0069 .0025 .0030 0 .0011 0 |
|
AlM2 0 .3307 .5 .18 .0060 .0026 .0029 0 .0006 0 |
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MgM2 0 .3307 .5 .01 .0060 .0026 .0029 0 .0006 0 |
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FeM2 0 .3307 .5 .65 .0060 .0026 .0029 0 .0006 0 |
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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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
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AlM2 .2356 .1178 0 .68 .011 .011 .0002 .010 -.0005 -.0005 |
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FeM2 .2356 .1178 0 .25 .011 .011 .0002 .010 -.0005 -.0005 |
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MnM2 .2356 .1178 0 .01 .011 .011 .0002 .010 -.0005 -.0005 |
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FeM3 .5612 .7806 0 .67 .011 .011 .0004 .008 -.0004 -.0004 |
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MnM3 .5612 .7806 0 .01 .011 .011 .0004 .008 -.0004 -.0004 |
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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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Polylithionite |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Nacrite |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Amesite |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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