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Tamarugite |
 |
Robinson P D, Fang J H |
 |
American Mineralogist 54 (1969) 19-30 |
|
Crystal structures and mineral chemistry of double-salt hydrates: I. Direct |
|
determination of the crystal structure of tamarugite |
|
_database_code_amcsd 0000186 |
|
7.353 25.225 6.097 90 95.2 90 P2_1/a |
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atom x y z Biso |
|
Na .6169 .0525 .1950 1.8 |
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Al .1424 .1454 .6785 .9 |
|
S1 .6427 .1830 .2097 1.2 |
|
S2 .7076 .0204 .7515 1.2 |
|
O1 .5594 .2214 .0424 1.9 |
|
O2 .8171 .1621 .1392 1.9 |
|
O3 .5159 .1391 .2373 2.3 |
|
O4 .6811 .2112 .4229 1.8 |
|
O5 .2929 .0400 .2612 2.0 |
|
O6 .7571 .0421 .5380 2.1 |
|
O7 .5208 .0381 .7938 1.5 |
|
O8 .8391 .0384 .9326 1.5 |
|
Wat1 .1232 .1870 .4182 1.5 |
|
Wat2 .0611 .0881 .4987 1.8 |
|
Wat3 .3837 .1260 .6365 1.5 |
|
Wat4 .9020 .1636 .7299 1.4 |
|
Wat5 .2358 .2020 .8446 1.9 |
|
Wat6 .1389 .1000 .9307 2.4 |
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Loweite |
|
Fang J H, Robinson P D |
|
American Mineralogist 55 (1970) 378-386 |
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Crystal structures and mineral chemistry of double-salt hydrates: II. The |
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crystal structure of loeweite |
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_database_code_amcsd 0000200 |
|
11.769 11.769 11.769 106.5 106.5 106.5 R-3 |
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atom x y z occ Biso |
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Na1 .9103 .5064 .3569 1.54 |
|
Na2 .3121 .4552 .1928 1.79 |
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Mg1 .6890 .2068 .1214 .55 |
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Mg2 .5 .5 .5 .49 |
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S1 .8328 .4537 .0535 .49 |
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S2 .5647 .4112 .2335 .49 |
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S3 .1195 .1195 .1195 .5 1.04 |
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O1 .6210 .0255 .1152 1.28 |
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O2 .7861 .3817 .1269 1.51 |
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O3 .8511 .0657 .4220 1.61 |
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O4 .5255 .0269 .2721 2.27 |
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O5 .6942 .5151 .3116 1.08 |
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O6 .4874 .4095 .3135 .90 |
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O7 .4977 .4319 .1189 .96 |
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O8 .5734 .2841 .1942 .89 |
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O9 0 0 0 3.75 |
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Wat1 .8120 .2764 .3161 1.22 |
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Wat2 .8350 .1634 .0701 2.57 |
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Wat3 .1620 .2367 .0762 .5 6.96 |
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O .1620 .2367 .0762 .5 6.96 |
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|
Coquimbite |
|
Fang J H, Robinson P D |
|
American Mineralogist 55 (1970) 1534-1540 |
|
Crystal structures and mineral chemistry of hydrated ferric sulfates. I. The |
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crystal structure of coquimbite |
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_database_code_amcsd 0000211 |
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10.922 10.922 17.084 90 90 120 P-31c |
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atom x y z occ Biso |
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Al 0 0 0 .9 1.07 |
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Fe 0 0 0 .1 1.07 |
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Fe1 .3333 .6667 .25 1.71 |
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Fe2 .6667 .3333 .0025 2.19 |
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S .2444 .4146 .1232 0.49 |
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O1 .3187 .3451 .0909 1.42 |
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O2 .1081 .3106 .1548 1.03 |
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O3 .2197 .4946 .0597 1.21 |
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O4 .3349 .5158 .1838 .74 |
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Wat1 .1645 .0698 .0622 1.18 |
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Wat2 .4485 .1153 .2101 1.71 |
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Wat3 .5720 .1616 .0720 1.70 |
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Epididymite |
|
Robinson P D, Fang J H |
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American Mineralogist 55 (1970) 1541-1549 |
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The crystal structure of epididymite |
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Locality: Narsarsuk, Greenland |
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_database_code_amcsd 0000212 |
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12.74 13.63 7.33 90 90 90 Pnma |
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atom x y z Biso |
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Na .1030 .0698 .5014 2.2 |
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Be .4951 .0002 .3433 .5 |
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Si1 .1589 .1380 .0155 .3 |
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Si2 .3429 .1366 .7314 .3 |
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Si3 .3317 .1378 .3054 .4 |
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O1 .1207 .25 .0005 1.1 |
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O2 .2174 .1234 .2098 .9 |
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O3 .0603 .0664 .0067 .7 |
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O4 .2373 .1142 .8498 1.0 |
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O5 .4345 .0645 .7907 .8 |
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O6 .3784 .25 .7656 .8 |
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O7 .3048 .1239 .5204 .7 |
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O8 .3709 .25 .2674 .8 |
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O9 .4151 .0629 .2256 .9 |
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OH10 .0577 .25 .4890 2.3 |
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| |
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Aenigmatite |
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Cannillo E, Mazzi F, Fang J H, Robinson P D, Ohya Y |
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American Mineralogist 56 (1971) 427-446 |
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The crystal structure of aenigmatite |
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sample CM |
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_database_code_amcsd 0000224 |
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10.406 10.813 8.926 104.93 96.87 125.32 P-1 |
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atom x y z Biso |
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Fe1 0 0 .5 .89 |
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Fe2 0 .5 0 .85 |
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Fe3 .3193 .8513 .1779 .91 |
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Fe4 .7670 .8203 .1517 .68 |
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Fe5 .0952 .9382 .0522 .98 |
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Fe6 .5962 .9435 .0662 .82 |
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Ti1 .9970 .7428 .2565 .62 |
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Na1 .2092 .6289 .3893 1.33 |
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Na2 .6627 .6127 .3733 1.42 |
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Si1 .4798 .2333 .3311 .82 |
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Si2 .9879 .2363 .3456 .68 |
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Si3 .7925 .3435 .2424 .84 |
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Si4 .2782 .3364 .2257 .86 |
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Si5 .6478 .9448 .4450 .76 |
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Si6 .3525 .5573 .0501 .78 |
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O1 .3600 .0684 .1630 1.02 |
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O2 .8640 .0688 .1800 1.41 |
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O3 .5488 .9535 .2957 1.20 |
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O4 .0087 .9233 .2648 1.19 |
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O5 .2364 .8751 .3951 1.19 |
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O6 .7523 .8821 .3912 1.10 |
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O7 .4967 .1947 .4965 1.00 |
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O8 .9603 .7756 .4843 .98 |
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O9 .9069 .3300 .3717 1.44 |
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O10 .4091 .3408 .3539 .75 |
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O11 .6710 .1773 .0749 1.44 |
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O12 .1565 .1694 .0646 1.02 |
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O13 .5197 .7094 .0365 1.04 |
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O14 .0671 .7334 .0776 .78 |
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O15 .2453 .6098 .1152 1.51 |
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O16 .7572 .6022 .1230 1.39 |
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O17 .4040 .4995 .1882 1.01 |
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O18 .9370 .5164 .2269 1.15 |
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O19 .1708 .3661 .3271 .91 |
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O20 .6749 .3640 .3422 .93 |
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|
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| |
|
Aenigmatite |
|
Cannillo E, Mazzi F, Fang J H, Robinson P D, Ohya Y |
|
American Mineralogist 56 (1971) 427-446 |
|
The crystal structure of aenigmatite |
|
sample FRO |
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_database_code_amcsd 0000225 |
|
10.406 10.813 8.926 104.93 96.87 125.32 P-1 |
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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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Fe1 0 0 .5 .89 .0018 .0029 .0040 .0013 .0013 .0017 |
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Ti1 0 0 .5 .11 .0018 .0029 .0040 .0013 .0013 .0017 |
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Fe2 0 .5 0 .87 .0017 .0024 .0044 .0011 .0017 .0018 |
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Ti2 0 .5 0 .13 .0017 .0024 .0044 .0011 .0017 .0018 |
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Fe3 .3214 .8528 .1779 .95 .0024 .0030 .0047 .0013 .0013 .0017 |
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Ti3 .3214 .8528 .1779 .05 .0024 .0030 .0047 .0013 .0013 .0017 |
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Fe4 .7655 .8199 .1511 .76 .0029 .0032 .0047 .0017 .0018 .0020 |
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Ti4 .7655 .8199 .1511 .24 .0029 .0032 .0047 .0017 .0018 .0020 |
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Fe5 .0961 .9392 .0530 .90 .0035 .0034 .0053 .0019 .0021 .0028 |
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Ti5 .0961 .9392 .0530 .10 .0035 .0034 .0053 .0019 .0021 .0028 |
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Fe6 .5959 .9432 .0661 .0030 .0034 .0044 .0017 .0019 .0022 |
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Ti7 .9970 .7434 .2577 .59 .0022 .0024 .0038 .0012 .0018 .0018 |
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Fe7 .9970 .7434 .2577 .41 .0022 .0024 .0038 .0012 .0018 .0018 |
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Na1 .2089 .6298 .3893 .0022 .0025 .0036 .0022 .0017 .0014 |
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Na2 .6607 .6117 .3741 .0015 .0033 .0060 .0007 .0012 .0024 |
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Si1 .4768 .2345 .3313 .0010 .0011 .0021 .0003 .0008 .0007 |
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Si2 .9864 .2363 .3466 .0008 .0007 .0031 .0004 .0011 .0011 |
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Si3 .7921 .3435 .2416 .90 .0011 .0010 .0023 .0004 .0008 .0010 |
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Fe3 .7921 .3435 .2416 .10 .0011 .0010 .0023 .0004 .0008 .0010 |
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Si4 .2772 .3382 .2252 .95 .0017 .0018 .0031 .0008 .0009 .0012 |
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Fe4 .2772 .3382 .2252 .05 .0017 .0018 .0031 .0008 .0009 .0012 |
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Si5 .6487 .9448 .4447 .94 .0019 .0024 .0024 .0016 .0015 .0015 |
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Fe5 .6487 .9448 .4447 .06 .0019 .0024 .0024 .0016 .0015 .0015 |
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Si6 .3528 .5588 .0501 .95 .0023 .0014 .0032 .0013 .0019 .0015 |
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Fe6 .3528 .5588 .0501 .05 .0023 .0014 .0032 .0013 .0019 .0015 |
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O1 .3542 .0641 .1621 .64 |
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O2 .8611 .0666 .1807 .43 |
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O3 .5540 .9534 .2958 .75 |
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O4 .0151 .9258 .2670 .83 |
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O5 .2353 .8747 .3933 .65 |
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O6 .7541 .8843 .3902 .63 |
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O7 .4929 .1948 .4973 .75 |
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O8 .9575 .7755 .4871 .58 |
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O9 .8996 .3230 .3735 .76 |
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O10 .4034 .3364 .3529 .93 |
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O11 .6653 .1744 .0709 .57 |
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O12 .1570 .1688 .0612 .57 |
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O13 .5233 .7108 .0393 .56 |
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O14 .0673 .7340 .0757 .37 |
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O15 .2417 .6060 .1120 .89 |
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O16 .7510 .6018 .1275 .64 |
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O17 .4002 .5015 .1883 .52 |
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O18 .9363 .5147 .2264 1.09 |
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O19 .1648 .3649 .3183 .62 |
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O20 .6731 .3626 .3366 .99 |
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|
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| |
|
Paracoquimbite |
|
Robinson P D, Fang J H |
|
American Mineralogist 56 (1971) 1567-1572 |
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Crystal structures and mineral chemistry of hydrated ferric sulphates: II. The |
|
crystal structure of paracoquimbite |
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_database_code_amcsd 0000261 |
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10.926 10.926 51.300 90 90 120 R-3 |
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atom x y z Biso |
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Fe1 0 0 0 3.4 |
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Fe2 0 0 .5 3.6 |
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Fe3 0 0 .2507 3.2 |
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Fe4 0 0 .1677 3.2 |
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Fe5 0 0 .6652 3.5 |
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S1 .249 .4169 .8756 1.8 |
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S2 .584 .7554 .9593 1.8 |
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O1 .325 .349 .8650 2.4 |
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O2 .655 .682 .9697 2.7 |
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O3 .114 .310 .8865 2.5 |
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O4 .685 .892 .9486 2.4 |
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O5 .223 .493 .8545 2.1 |
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O6 .504 .778 .9807 2.1 |
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O7 .339 .520 .8960 1.7 |
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O8 .481 .662 .9388 2.0 |
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OH9 .171 .073 .8553 2.5 |
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OH10 .929 .826 .9787 2.9 |
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OH11 .446 .114 .9016 2.8 |
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OH12 .886 .550 .9290 2.7 |
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OH13 .596 .434 .8552 2.7 |
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OH14 .575 .410 .9755 2.9 |
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|
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| |
|
Mendozite |
|
Fang J H, Robinson P D |
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American Mineralogist 57 (1972) 1081-1088 |
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Crystal structures and mineral chemistry of double-salt hydrates: II. The |
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crystal structure of mendozite, NaAl(SO4)2.11H2O |
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_database_code_amcsd 0000289 |
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21.75 9.11 8.30 90 92.47 90 C2/c |
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atom x y z Biso |
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Na 0 0 0 2.05 |
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Al .25 .25 0 1.00 |
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S .1314 .2532 .5295 1.22 |
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O1 .1461 .3955 .6107 1.82 |
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O2 .0747 .1926 .5903 2.56 |
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O3 .1840 .1544 .5654 2.49 |
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O4 .1248 .2758 .3548 2.40 |
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Wat1 .2306 .3024 .2100 1.87 |
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Wat2 .1832 .1231 .9857 1.86 |
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Wat3 .1979 .4037 .9193 1.58 |
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Wat4 0 .1231 .25 2.99 |
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Wat5 .0683 .1864 .9161 2.25 |
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Wat6 .0358 .4291 .1101 3.68 |
|
|
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| |
|
Kainite |
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Robinson P D, Fang J H, Ohya Y |
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American Mineralogist 57 (1972) 1325-1332 |
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The crystal structure of kainite |
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Locality: Stassfurt, Germany |
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_database_code_amcsd 0000291 |
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19.72 16.23 9.53 90 94.92 90 C2/m |
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atom x y z Biso |
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K1 .19158 .5 .4203 1.80 |
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K2 .19318 0 .9398 1.56 |
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K3 .19487 .3064 .8483 2.00 |
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S1 .09695 .3308 .5175 .69 |
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S2 .09805 .1672 .0136 .75 |
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Mg1 0 .5 .5 .87 |
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Mg2 0 0 0 1.00 |
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Mg3 .25000 .25 .5 1.14 |
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Mg4 .00026 .2484 .2481 1.00 |
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Cl1 .21470 0 .2730 2.45 |
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Cl2 .13985 0 .6231 2.27 |
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Cl3 .17890 .3892 .1357 2.35 |
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O1 .0710 .2317 .9152 1.30 |
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O2 .0707 .2694 .4142 1.37 |
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O3 .0749 .3107 .6569 1.29 |
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O4 .0734 .4133 .4744 1.52 |
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O5 .0715 .0859 .9646 1.56 |
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O6 .0760 .1844 .1552 1.14 |
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O7 .1721 .3316 .5261 1.25 |
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O8 .1722 .1668 .0183 1.34 |
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Wat1 .0399 0 .2197 1.65 |
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Wat2 .0193 .5 .7192 1.42 |
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Wat3 .2133 .1727 .6510 2.19 |
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Wat4 .0259 .3588 .1468 1.48 |
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Wat5 .0200 .1354 .6489 1.74 |
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Wat6 .1963 .1849 .3438 1.80 |
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Wat7 .1454 .5 .8430 4.49 |
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|
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|
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Eudidymite |
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Fang J H, Robinson P D, Ohya Y |
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American Mineralogist 57 (1972) 1345-1354 |
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Redetermination of the crystal structure of eudidymite and its dimorphic |
|
relationship to epididymite |
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_database_code_amcsd 0000293 |
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12.63 7.38 14.02 90 103.72 90 C2/c |
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atom x y z Biso |
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Na .0287 .3405 .9282 2.57 |
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Be .1677 .3228 .4969 1.08 |
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Si1 .2038 .0199 .6416 .76 |
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Si2 .2518 .1027 .8665 .78 |
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Si3 .0297 .0933 .3618 .82 |
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O1 .0732 .0329 .6266 1.07 |
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O2 .2401 .1800 .1152 1.49 |
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O3 .2410 .1650 .5715 1.19 |
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O4 .2368 .4392 .2447 1.65 |
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O5 .1549 .4984 .0558 1.16 |
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O6 .1292 .0519 .8755 1.12 |
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O7 0 .1732 .25 1.51 |
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O8 .0526 .2561 .4373 1.31 |
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Wat 0 .4322 .75 3.03 |
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|
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Kornelite |
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Robinson P D, Fang J H |
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American Mineralogist 58 (1973) 535-539 |
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Crystal structures and mineral chemistry of hydrated ferric sulphates. III. The |
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crystal structure of kornelite |
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_database_code_amcsd 0000322 |
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14.30 20.12 5.425 90 96.8 90 P2_1/n |
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atom x y z occ Biso |
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Fe1 .8303 .1030 .7970 2.9 |
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Fe2 .3330 .1146 .7724 2.8 |
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S1 .6483 .0357 .9931 1.2 |
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S2 .8989 .2432 .0578 1.3 |
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S3 .1544 .0489 .4280 1.3 |
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O1 .5884 .0575 .170 2.3 |
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O2 .7286 .0819 .003 2.3 |
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O3 .3113 .0311 .941 2.7 |
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O4 .6000 .0333 .738 2.4 |
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O5 .4547 .2310 .375 2.5 |
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O6 .3364 .2051 .632 2.2 |
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O7 .9577 .2173 .269 2.8 |
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O8 .8333 .1906 .947 2.1 |
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O9 .0953 .0477 .628 2.9 |
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O10 .1043 .0755 .198 2.4 |
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O11 .8093 .0190 .610 2.6 |
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O12 .2381 .0918 .496 2.5 |
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Wat1 .4423 .1368 .025 2.4 |
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Wat2 .4277 .0754 .565 1.9 |
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Wat3 .2357 .1522 .972 3.2 |
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Wat4 .7429 .1411 .519 4.4 |
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Wat5 .9216 .0599 .060 2.3 |
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Wat6 .9439 .1256 .629 2.4 |
|
Wat7 .147 .256 .329 .50 5.2 |
|
Wat8 .644 .245 .300 .75 5.4 |
|
|
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Quenstedtite |
|
Thomas J N, Robinson P D, Fang J H |
|
American Mineralogist 59 (1974) 582-586 |
|
Crystal structures and mineral chemistry of hydrated ferric sulfates. IV. The |
|
crystal structure of quenstedtite |
|
_database_code_amcsd 0000409 |
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6.184 23.60 6.539 94.18 101.73 96.27 P-1 |
|
atom x y z Biso |
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Fe1 .1411 .1146 .3365 3.05 |
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Fe2 .4684 .6182 .2434 3.05 |
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S1 .2633 .2813 .9573 1.4 |
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S2 .1281 .5732 .7901 1.3 |
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S3 .4462 .0771 .7623 1.4 |
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O1 .084 .3136 .972 2.3 |
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O2 .408 .2843 .164 2.6 |
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O3 .186 .2210 .871 2.5 |
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O4 .393 .3072 .810 2.2 |
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O5 .229 .5288 .701 2.7 |
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O6 .059 .6112 .637 2.4 |
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O7 .051 .4498 .119 2.0 |
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O8 .301 .6071 .960 2.9 |
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O9 .334 .0316 .852 2.8 |
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O10 .439 .8790 .072 2.5 |
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O11 .400 .9444 .356 2.5 |
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O12 .274 .1022 .620 2.7 |
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Wat1 .052 .1860 .453 2.4 |
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Wat2 .431 .1533 .292 2.9 |
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Wat3 .010 .1325 .045 2.0 |
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Wat4 .200 .0390 .210 2.3 |
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Wat5 .160 .9277 .653 2.2 |
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Wat6 .283 .4228 .817 2.4 |
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Wat7 .232 .6591 .343 1.8 |
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Wat8 .372 .3699 .449 2.2 |
|
Wat9 .333 .5419 .322 2.7 |
|
Wat10 .366 .7854 .370 3.9 |
|
Wat11 .179 .7506 .794 3.6 |
|
|
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|
| |
|
Alunogen |
|
Fang J H, Robinson P D |
|
American Mineralogist 61 (1976) 311-317 |
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Alunogen, Al2(H2O)12(SO4)3.5H2O: Its atomic arrangement and water content |
|
_database_code_amcsd 0000518 |
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7.420 26.970 6.062 89.67 97.34 91.53 P-1 |
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atom x y z Biso |
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S1 .2327 .9390 .4813 1.46 |
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S2 .2424 .5607 .4859 1.23 |
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S3 .6334 .7470 .4740 2.54 |
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Al1 .2803 .0986 .0012 1.27 |
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Al2 .7367 .5995 .0029 1.19 |
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O1 .3740 .9043 .4480 2.80 |
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O2 .6970 .0258 .3400 2.30 |
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O3 .9280 .0886 .4570 2.30 |
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O4 .1750 .9656 .2710 2.50 |
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O5 .6930 .4738 .3360 2.30 |
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O6 .3910 .5955 .4470 2.10 |
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O7 .9080 .4114 .4460 2.00 |
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O8 .1740 .5336 .2790 2.20 |
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O9 .2320 .2814 .3870 4.80 |
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O10 .6040 .7268 .2490 3.70 |
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O11 .7030 .7981 .4660 4.20 |
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O12 .5430 .2528 .4370 6.60 |
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Wat1 .8120 .8415 .1130 2.30 |
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Wat2 .3340 .1254 .2890 1.90 |
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Wat3 .3740 .0379 .1120 1.80 |
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Wat4 .7710 .9304 .2850 1.60 |
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Wat5 .4820 .8829 .0530 1.90 |
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Wat6 .0460 .0774 .0620 2.00 |
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Wat7 .8280 .6603 .1280 2.00 |
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Wat8 .3030 .3725 .2820 1.70 |
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Wat9 .0270 .4179 .0470 2.00 |
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Wat10 .7770 .5696 .2870 1.50 |
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Wat11 .4970 .6145 .0520 1.70 |
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Wat12 .3610 .4622 .1210 1.50 |
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Watz1 .7090 .3249 .2010 4.40 |
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Watz2 .6110 .2101 .0430 5.90 |
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Watz3 .0020 .2164 .1010 7.10 |
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Watz4 .1520 .6965 .2290 7.60 |
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Watz5 .1480 .7970 .4340 6.20 |
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Barylite |
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Robinson P D, Fang J H |
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American Mineralogist 62 (1977) 167-169 |
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Barylite, BaBe2Si2O7: its space group and crystal structure |
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Locality: amazonite pocket, Park County, Colorado, USA |
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_database_code_amcsd 0000560 |
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9.820 11.670 4.690 90 90 90 Pnma |
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atom x y z Biso |
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Ba .1516 .75 .2470 .79 |
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Be .1610 .5020 .7030 .60 |
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Si .0885 .3779 .1995 .50 |
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O1 .4291 .3846 .2175 .63 |
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O2 .1874 .4712 .3558 .51 |
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O3 .1072 .3868 .8592 .74 |
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O4 .1454 .25 .2958 .50 |
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Blossite |
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Robinson P D, Hughes J M, Malinconico M L |
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American Mineralogist 72 (1987) 397-400 |
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Blossite, alpha-Cu2V2O7, a new fumarolic sublimate from Izalco volcano, El Salvador |
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- data obtained by personal communication, May 2003. |
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_database_code_amcsd 0001075 |
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20.676 8.392 6.446 90 90 90 Fdd2 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Cu .1659 .3639 3/4 .00077 .0085 .0022 -.00165 .00042 -.0010 |
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V .1988 .4052 .2328 .00025 .0037 .0020 .00010 -.00015 .0005 |
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O1 .1616 .3483 .4532 1.4 |
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O2 .2454 .5616 .2676 1.9 |
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O3 .1440 .4358 .0283 1.0 |
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O4 1/4 1/4 .1543 2.9 |
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Chalcomenite |
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Robinson P D, Sen Gupta P K, Swihart G H, Houk L |
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American Mineralogist 77 (1992) 834-838 |
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Crystal structure, H positions, and the Se lone pair of synthetic chalcomenite, |
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Cu(H2O)2[SeO3] |
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_database_code_amcsd 0001528 |
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6.674 9.161 7.398 90 90 90 P2_12_12_1 |
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atom x y z Biso |
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Se .73173 .89063 .45720 .79 |
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Cu .0282 .85137 .7860 1.19 |
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O1 .9735 .8882 .5279 1.3 |
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O2 .7488 .7804 .2718 1.4 |
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O3 .7294 .0586 .3580 1.4 |
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Wat4 .0578 .7872 .0440 1.7 |
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Wat5 .2090 .0597 .8106 2.1 |
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H1 .9286 .7825 .0938 2.03 |
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H2 .0964 .7009 .0269 2.03 |
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H3 .2502 .1002 .6735 2.51 |
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H4 .3268 .0519 .9096 2.51 |
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|
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Fangite |
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Wilson J R, Sen Gupta P K, Robinson P D, Criddle A J |
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American Mineralogist 78 (1993) 1096-1103 |
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Fangite, Tl3AsS4, a new thallium arsenic sulfosalt from the Mercur Au deposit, |
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Utah, and revised optical data for gillulyite |
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_database_code_amcsd 0001617 |
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8.894 10.855 9.079 90 90 90 Pnma |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Tl1 .0612 .0494 .1958 .0331 .0236 .0314 .0021 -.0005 -.0028 |
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Tl2 .3837 .25 -.1094 .0249 .064 .0280 0 .0020 0 |
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As .2807 .25 .4744 .015 .020 .014 0 .000 0 |
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S1 .306 .25 .2338 .021 .033 .006 0 -.001 0 |
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S2 .004 .25 .932 .020 .032 .024 0 .005 0 |
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S3 .1557 .0869 .5354 .028 .024 .035 -.008 .002 .006 |
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|
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Gillulyite |
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Foit F F, Robinson P D, Wilson J R |
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American Mineralogist 80 (1995) 394-399 |
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The crystal structure of gillulyite, Tl2(As,Sb)8S13, from the Mercur gold |
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deposit, Tooele County, Utah, U.S.A |
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_database_code_amcsd 0001733 |
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9.584 5.679 21.501 90 100.07 90 P2/n |
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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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Tl1 .8102 .9483 .1488 .5 .035 .035 .066 -.004 .024 -.008 |
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Tl2 .1895 .8829 .2589 .5 .130 .052 .125 -.009 -.077 -.004 |
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As1 .4732 .4472 .0883 .010 .013 .021 .001 .0023 .002 |
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As2 .2587 .9009 .0205 .019 .025 .029 .003 .008 .014 |
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As3 .0965 .4476 .0883 .011 .014 .023 .000 .0069 .001 |
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As4 .8077 .2107 .1446 .43 .015 .016 .016 .001 .008 .002 |
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Sb1 .8077 .2107 .1446 .07 .015 .016 .016 .001 .008 .002 |
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As5 .8087 .6617 .1468 .46 .017 .014 .015 -.002 .006 .002 |
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Sb2 .8087 .6617 .1468 .04 .017 .014 .015 -.002 .006 .002 |
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S1 .3105 .388 .1543 .009 .025 .030 .002 .007 .009 |
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S2 .6452 .437 .1813 .015 .024 .018 .001 .009 -.002 |
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S3 .4708 .850 .0876 .019 .014 .051 -.004 .001 .000 |
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S4 .2435 .543 -.0191 .023 .052 .018 .005 .010 -.004 |
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S5 .0980 .852 .0879 .028 .023 .031 .001 .013 -.002 |
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S6 .9980 .434 .1811 .012 .027 .018 -.004 .009 .000 |
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S7 .844 .941 .2254 .5 .028 .019 .013 .007 .005 .001 |
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|
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|
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MnGeO3 |
| |
Fang J H, Townes W D, Robinson P D |
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Zeitschrift fur Kristallographie 130 (1969) 139-147 |
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The crystal structure of manganese metagermanate, MnGeO3 |
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Note: x coordinate of O6 altered to a reasonable value |
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_database_code_amcsd 0010696 |
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19.267 9.248 5.477 90 90 90 Pbca |
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atom x y z Biso |
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Mn1 .1238 .3465 .3588 .28 |
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Mn2 .3777 .4819 .3515 .34 |
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Ge1 .4728 .1631 .2981 .13 |
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Ge2 .2702 .3438 .0340 .12 |
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O1 .0621 .1575 .1890 .72 |
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O2 .0685 .5161 .1856 .51 |
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O3 .4442 .3098 .1097 .41 |
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O4 .1802 .3356 .0224 .13 |
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O5 .1923 .0083 .0467 .44 |
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O6 .3062 .2787 .3137 .24 |
|
|
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Fluoro-potassic-magnesio-arfvedsonite |
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Oberti R, Boiocchi M, Hawthorne F C, Robinson P |
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Mineralogical Magazine 74 (2010) 951-960 |
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Crystal structure and crystal chemistry of fluoro-potassic-magnesio-arfvedsonite |
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from Monte Metocha, Xixano region, Mozambique, and discussion of the holotype |
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from Quebec, Canada |
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Locality: Monte Metocha, Xixano region, Mozambique |
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_database_code_amcsd 0018304 |
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9.9591 17.9529 5.2867 90 104.340 90 C2/m |
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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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KAm .0313 .5 .0701 .49 1.59 .0056 .0010 .0195 0 .0079 0 |
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NaM4 0 .2775 .5 .905 1.35 .0043 .0008 .0164 0 .0048 0 |
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CaM4 0 .2775 .5 .095 1.35 .0043 .0008 .0164 0 .0048 0 |
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MgM1 0 .0894 .5 .77 .76 .0022 .0007 .0063 0 .0013 0 |
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Fe2+M1 0 .0894 .5 .17 .76 .0022 .0007 .0063 0 .0013 0 |
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TiM1 0 .0894 .5 .06 .76 .0022 .0007 .0063 0 .0013 0 |
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Fe3+M2 0 .1825 0 .450 .57 .0016 .0004 .0055 0 .0008 0 |
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MgM2 0 .1825 0 .340 .57 .0016 .0004 .0055 0 .0008 0 |
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Fe2+M2 0 .1825 0 .200 .57 .0016 .0004 .0055 0 .0008 0 |
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AlM2 0 .1825 0 .005 .57 .0016 .0004 .0055 0 .0008 0 |
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ZnM2 0 .1825 0 .005 .57 .0016 .0004 .0055 0 .0008 0 |
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MgM3 0 0 0 .87 .58 .0020 .0004 .0046 0 .0006 0 |
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Fe2+M3 0 0 0 .09 .58 .0020 .0004 .0046 0 .0006 0 |
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MnM3 0 0 0 .04 .58 .0020 .0004 .0046 0 .0006 0 |
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SiT1 .2758 .0858 .2976 .47 .0014 .0004 .0041 0 .0006 -.0001 |
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SiT2 .2853 .1714 .8040 .47 .0014 .0004 .0041 -.0001 .0007 -.0001 |
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O1 .1098 .0877 .2161 .67 .0014 .0006 .0064 -.0001 .0008 -.0001 |
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O2 .1181 .1696 .7305 .68 .0016 .0006 .0063 0 .0006 -.0001 |
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F3 .1048 0 .7119 .515 .90 .0026 .0007 .0080 0 .0009 0 |
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O3 .1048 0 .7119 .485 .90 .0026 .0007 .0080 0 .0009 0 |
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O4 .3608 .2491 .8014 .89 .0031 .0005 .0080 -.0005 .0015 -.0001 |
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O5 .3441 .1284 .0886 .76 .0019 .0008 .0062 0 .0012 .0008 |
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O6 .3393 .1189 .5877 .79 .0022 .0007 .0054 0 .0008 -.0007 |
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O7 .3307 0 .3056 .84 .0024 .0004 .0114 0 .0016 0 |
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H .188 0 .740 .365 .80 |
|
|
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|
| |
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