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Millerite |
 |
Grice J D, Ferguson R B |
 |
The Canadian Mineralogist 12 (1974) 248-252 |
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Crystal structure refinement of millerite (B-NiS) |
|
_database_code_amcsd 0005097 |
|
9.6071 9.6071 3.1434 90 90 120 R3m |
|
atom x y z Uiso |
|
Ni .91225 -.91225 .47546 .056 |
|
S .11224 -.11224 0 .066 |
|
|
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| |
|
Omphacite |
|
Curtis L, Gittins J, Kocman V, Rucklidge J C, Hawthorne F C, Ferguson R B |
|
The Canadian Mineralogist 13 (1975) 62-67 |
|
Two crystal structure refinements of a P2/n titanian ferro-omphacite |
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Sample: Tronto |
|
_database_code_amcsd 0005103 |
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9.622 8.826 5.279 90 106.92 90 P2/n |
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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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FeM1 .75 .6570 .25 .779 .0021 .0022 .0039 0 .0009 0 |
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AlM1 .75 .6570 .25 .221 .0021 .0022 .0039 0 .0009 0 |
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FeM11 .75 .8499 .75 .171 .0016 .0013 .0037 0 .0016 0 |
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AlM11 .75 .8499 .75 .829 .0016 .0013 .0037 0 .0016 0 |
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CaM2 .75 .0524 .25 .285 .0056 .0036 .0119 0 .0015 0 |
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NaM2 .75 .0524 .25 .715 .0056 .0036 .0119 0 .0015 0 |
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CaM21 .75 .4530 .75 .699 .0052 .0029 .0082 0 .0003 0 |
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NaM21 .75 .4530 .75 .301 .0052 .0029 .0082 0 .0003 0 |
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Si1 .0402 .8472 .2298 .0023 .0016 .0052 .0001 .0020 -.0002 |
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Si2 .0381 .6651 .7354 .0019 .0019 .0045 .0000 .0015 .0000 |
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O11 .8655 .8410 .1223 .0019 .0031 .0098 .0001 .0025 -.0003 |
|
O12 .8622 .6804 .6561 .0027 .0028 .0102 .0004 .0025 -.0006 |
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O21 .1154 .0091 .3095 .0036 .0027 .0074 -.0007 .0018 .0000 |
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O22 .1039 .5007 .8052 .0043 .0031 .0113 .0016 .0034 .0018 |
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O31 .1077 .7660 .0082 .0038 .0032 .0060 .0001 .0021 -.0013 |
|
O32 .0969 .7430 .5019 .0024 .0034 .0082 .0002 .0021 .0007 |
|
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| |
|
Omphacite |
|
Curtis L, Gittins J, Kocman V, Rucklidge J C, Hawthorne F C, Ferguson R B |
|
The Canadian Mineralogist 13 (1975) 62-67 |
|
Two crystal structure refinements of a P2/n titanian ferro-omphacite |
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Sample: Winnipeg |
|
_database_code_amcsd 0005104 |
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9.622 8.826 5.279 90 106.92 90 P2/n |
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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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FeM1 .75 .6560 .25 .786 .0017 .0021 .0053 0 .0005 0 |
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AlM1 .75 .6560 .25 .214 .0017 .0021 .0053 0 .0005 0 |
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FeM11 .75 .8499 .75 .251 .0013 .0016 .0038 0 .0008 0 |
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AlM11 .75 .8499 .75 .749 .0013 .0016 .0038 0 .0008 0 |
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CaM2 .75 .0520 .25 .260 .0052 .0035 .0106 0 .0005 0 |
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NaM2 .75 .0520 .25 .740 .0052 .0035 .0106 0 .0005 0 |
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CaM21 .75 .4526 .75 .672 .0045 .0033 .0095 0 -.0003 0 |
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NaM21 .75 .4526 .75 .328 .0045 .0033 .0095 0 -.0003 0 |
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Si1 .0402 .8464 .2305 .0015 .0020 .0046 .0000 .0011 .0001 |
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Si2 .0382 .6647 .7353 .0017 .0018 .0035 .0001 .0010 .0001 |
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O11 .8646 .8400 .1227 .0017 .0030 .0053 -.0001 .0012 -.0001 |
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O12 .8632 .6798 .6559 .0012 .0030 .0061 -.0003 .0012 -.0003 |
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O21 .1156 .0088 .3088 .0022 .0019 .0077 -.0003 .0007 -.0004 |
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O22 .1041 .5002 .8058 .0033 .0022 .0089 .0008 .0019 .0007 |
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O31 .1072 .7661 .0102 .0018 .0027 .0067 .0003 .0010 -.0012 |
|
O32 .0972 .7428 .5024 .0020 .0027 .0033 -.0001 .0017 .0008 |
|
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| |
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Celestine |
|
Hawthorne F C, Ferguson R B |
|
The Canadian Mineralogist 13 (1975) 181-187 |
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Anhydrous sulphates. I: Refinement of the crystal structure of celestite |
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with an appendix on the structure of thenardite |
|
_database_code_amcsd 0005112 |
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8.360 5.352 6.858 90 90 90 Pnma |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Sr .1841 .25 .1582 .00269 .01022 .00334 0 .00010 0 |
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S .4379 .75 .1849 .00264 .00444 .00182 0 .00009 0 |
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O1 .5970 .75 .0937 .00325 .01042 .00814 0 .00320 0 |
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O2 .3101 .75 .0406 .00496 .01082 .00612 0 -.00191 0 |
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O3 .4219 .9745 .3101 .00397 .00548 .00668 -.00107 .00077 -.00082 |
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|
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| |
|
Thenardite |
|
Hawthorne F C, Ferguson R B |
|
The Canadian Mineralogist 13 (1975) 181-187 |
|
Anhydrous sulphates. I: Refinement of the crystal structure of celestite |
|
with an appendix on the structure of thenardite |
|
_database_code_amcsd 0005113 |
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9.829 12.302 5.868 90 90 90 *Fddd |
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.125 .125 .125 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na .4416 .125 .125 .00449 .00255 .00914 0 0 .00021 |
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S .125 .125 .125 .00228 .00160 .00503 0 0 0 |
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O .2138 .0572 .9793 .00359 .00259 .00976 .00031 .00144 -.00149 |
|
|
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|
| |
|
Anhydrite |
|
Hawthorne F C, Ferguson R B |
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The Canadian Mineralogist 13 (1975) 289-292 |
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Anhydrous sulphates. II. Refinement of the crystal structure of anhydrite |
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_database_code_amcsd 0005117 |
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6.993 6.995 6.245 90 90 90 Amma |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .75 0 .34760 .00343 .00377 .00354 0 0 0 |
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S .25 0 .15556 .00338 .00270 .00296 0 0 0 |
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O1 .25 .1699 .0162 .00786 .00337 .00486 0 0 0 |
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O2 .0819 0 .2975 .00351 .00679 .00513 0 .00121 0 |
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|
| Download AMC data (View Text File)
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|
| |
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Cryolite |
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Hawthorne F C, Ferguson R B |
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The Canadian Mineralogist 13 (1975) 377-382 |
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Refinement of the crystal structure of cryolite |
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_database_code_amcsd 0005118 |
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5.4024 5.5959 7.7564 90 90.278 90 P2_1/n |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Al 0 0 0 .00558 .00521 .00286 0 .00002 0 |
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Na1 0 0 .5 .00919 .00855 .00448 0 -.00025 0 |
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Na2 .5133 -.0519 .2474 .01234 .01114 .00758 -.00175 .00002 .00015 |
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F1 .1026 .0455 .2194 .01306 .01275 .00339 .00036 -.00162 -.00077 |
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F2 -.2732 .1737 .0462 .00935 .01091 .00647 .00438 .00177 .00083 |
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F3 .1634 .2690 -.0630 .01139 .00847 .00737 -.00335 -.00063 .00239 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Manganotantalite |
|
Grice J D, Ferguson R B, Hawthorne F C |
|
The Canadian Mineralogist 14 (1976) 540-549 |
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The crystal structures of tantalite, ixiolite and wodginite |
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from Bernic lake, Manitoba I. Tantalite and ixiolite |
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Locality: Bernic lake, Manitoba, Canada |
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_database_code_amcsd 0005130 |
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14.413 5.760 5.084 90 90 90 Pbcn |
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atom x y z occ Biso |
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Mn 0 .322 .25 .97 .63 |
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Ti 0 .322 .25 .02 .63 |
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Fe 0 .322 .25 .01 .63 |
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Ta .1628 .1770 .7367 .64 .64 |
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Nb .1628 .1770 .7367 .36 .64 |
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O1 .099 .094 .055 .4 |
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O2 .419 .112 .108 1.3 |
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O3 .758 .121 .099 .9 |
|
|
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|
| |
|
Tantalite-(Mn) |
|
Grice J D, Ferguson R B, Hawthorne F C |
|
The Canadian Mineralogist 14 (1976) 540-549 |
|
The crystal structures of tantalite, ixiolite and wodginite |
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from Bernic lake, Manitoba I. Tantalite and ixiolite |
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Locality: Bernic lake, Manitoba, Canada |
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_database_code_amcsd 0005131 |
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14.413 5.760 5.084 90 90 90 Pbcn |
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atom x y z occ Biso |
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Mn 0 .322 .25 .97 .63 |
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Ti 0 .322 .25 .02 .63 |
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Fe 0 .322 .25 .01 .63 |
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Ta .1628 .1770 .7367 .64 .64 |
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Nb .1628 .1770 .7367 .36 .64 |
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O1 .099 .094 .055 .4 |
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O2 .419 .112 .108 1.3 |
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O3 .758 .121 .099 .9 |
|
|
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|
| |
|
Ixiolite |
|
Grice J D, Ferguson R B, Hawthorne F C |
|
The Canadian Mineralogist 14 (1976) 540-549 |
|
The crystal structures of tantalite, ixiolite and wodginite |
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from Bernic lake, Manitoba I. Tantalite and ixiolite |
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Locality: Bernic lake, Manitoba, Canada |
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_database_code_amcsd 0005132 |
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4.785 5.758 5.160 90 90 90 Pbcn |
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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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Ta 0 .3317 .25 .42 .053 .006 .0013 0 -.003 0 |
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Mn 0 .3317 .25 .30 .053 .006 .0013 0 -.003 0 |
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Nb 0 .3317 .25 .24 .053 .006 .0013 0 -.003 0 |
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Ti 0 .3317 .25 .02 .053 .006 .0013 0 -.003 0 |
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Sn 0 .3317 .25 .005 .053 .006 .0013 0 -.003 0 |
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Fe 0 .3317 .25 .002 .053 .006 .0013 0 -.003 0 |
|
O .7224 .1217 .4158 2.8 |
|
|
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|
| |
|
Wodginite |
|
Ferguson R B, Hawthorne F C, Grice J D |
|
The Canadian Mineralogist 14 (1976) 550-560 |
|
The crystal structures of tantalite, ixiolite and wodginite |
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from Bernic lake, Manitoba II. Wodginite |
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Locality: Bernic lake, Manitoba, Canada |
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_database_code_amcsd 0005133 |
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9.489 11.429 5.105 90 91.10 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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SnC 0 .1689 .25 .567 .0013 .0010 .0053 0 .0016 0 |
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TaC 0 .1689 .25 .250 .0013 .0010 .0053 0 .0016 0 |
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TiC 0 .1689 .25 .113 .0013 .0010 .0053 0 .0016 0 |
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FeC 0 .1689 .25 .070 .0013 .0010 .0053 0 .0016 0 |
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MnA 0 .6575 .25 .0012 .0013 .0073 0 .0021 0 |
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TaB .2498 .4131 .2472 .891 .0015 .0012 .0064 -.0001 .0013 .0001 |
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TaB .2498 .4131 .2472 .109 .0015 .0012 .0064 -.0001 .0013 .0001 |
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O1 .1334 .0577 .0833 .0031 .0013 .0085 .0000 .0019 .0001 |
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O2 .1453 .4505 .5597 .0021 .0022 .0139 .0004 .0021 -.0005 |
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O3 .1215 .3060 .0984 .0020 .0016 .0141 -.0015 .0023 -.0002 |
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O4 .1161 .1834 .5758 .0023 .0019 .0142 .0003 .0033 .0005 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Roselite |
|
Hawthorne F C, Ferguson R B |
|
The Canadian Mineralogist 15 (1977) 36-42 |
|
The crystal structure of roselite |
|
_database_code_amcsd 0005135 |
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5.801 12.898 5.617 90 107.42 90 P2_1/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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Mg 0 0 0 .485 .00467 .00137 .00167 0 .00004 0 |
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Co 0 0 0 .515 .00467 .00137 .00167 0 .00004 0 |
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Ca .5618 .1216 .2307 .00414 .00139 .00139 -.00037 0 .00001 |
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As .21612 .12035 .56689 .00184 .00093 .00104 -.00010 .00031 -.00001 |
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O1 .9422 .1739 .4974 .01021 .00146 .00138 -.00033 .00018 -.00016 |
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O2 .2810 .0531 .8384 .00541 .00144 .00189 .00103 .00108 -.00004 |
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O3 .2368 .0352 .3423 .00583 .00167 .00173 -.00106 .00052 .00012 |
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O4 .4382 .2060 .5719 .00355 .00152 .00204 -.00002 -.00004 .00047 |
|
Wat .8154 .1386 .9647 .00626 .00137 .00182 -.00032 .00081 -.00015 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Pachnolite |
|
Hawthorne F C, Ferguson R B |
|
The Canadian Mineralogist 21 (1983) 561-566 |
|
The crystal structure of pachnolite |
|
_database_code_amcsd 0005195 |
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12.117 10.414 15.680 90 90.37 90 *F2/d |
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0 0 .25 |
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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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Al .34562 .1259 .37241 .00087 .00180 .00057 .00005 .00006 .00005 |
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Ca1 3/8 .1736 1/8 .00094 .00195 .00076 0 .00013 0 |
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Ca2 3/8 .5694 1/8 .00094 .00191 .00061 0 .00006 0 |
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Na .6292 .1274 -.0040 .00238 .00397 .00189 .00059 .00029 .00016 |
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F1 .0542 -.0009 .1396 .00150 .00282 .00156 .00046 .00015 -.00017 |
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F2 .2599 -.0093 .1014 .00208 .00288 .00143 -.00082 .00054 -.00017 |
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F3 .3145 .1138 .2602 .00265 .00395 .00065 -.00075 -.00006 .00005 |
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F4 .3792 .1430 .4852 .00295 .00368 .00066 -.00024 -.00007 -.00012 |
|
F5 .1982 .2505 .1039 .00137 .00293 .00148 .00057 -.00019 -.00023 |
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F6 -.0092 .2530 .1341 .00170 .00298 .00212 -.00106 .00033 -.00031 |
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O .3930 .3753 .0349 .00230 .00319 .00091 .00003 .00001 -.00010 |
|
H1 .351 .371 .000 1.0 |
|
H2 .461 .360 .027 1.0 |
|
|
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|
| |
|
Arsenohauchecornite |
|
Grice J D, Ferguson R B |
|
The Canadian Mineralogist 27 (1989) 137-142 |
|
The crystal structure of arsenohauchecornite |
|
Locality: Vermilion mine, Sudbury District, Ontario, Canada |
|
_database_code_amcsd 0005222 |
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10.2711 10.2711 10.8070 90 90 90 I4/mmm |
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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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Ni1 .5 0 0 .0078 .0078 .0094 0 0 0 |
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Ni2 .14501 .14501 .37922 .0101 .0101 .0081 .0007 -.0004 -.0004 |
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Ni3 .17109 .17109 .12524 .0088 .0088 .0087 .0014 .0014 .0014 |
|
Bi1 .5 0 .25 .0089 .0089 .0079 0 0 0 |
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Bi2 0 0 0 .0098 .0098 .0102 0 0 0 |
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As 0 0 .5 .0063 .0063 .0099 0 0 0 |
|
S1 .3493 .1613 0 .0052 .0057 .0076 .0009 0 0 |
|
S2 .2287 0 .2415 .0084 .0069 .0085 0 .0008 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Sanidine |
|
Ferguson R B, Ball N A, Cerny P |
|
The Canadian Mineralogist 29 (1991) 543-552 |
|
Structure refinement of an adularian end-member high sanidine from the |
|
Buck Claim Pegmatite, Bernic Lake, Manitoba |
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Sample: I |
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Locality: Buck Claim Pegmatite, Bernic Lake, Manitoba, Canada |
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Note: variety adularia |
|
_database_code_amcsd 0005270 |
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8.603 13.036 7.174 90 116.03 90 C2/m |
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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) |
|
K .2869 0 .1383 .0203 .0393 .0296 0 .0100 0 |
|
SiT1 .0100 .18584 .2239 .75 .0121 .0121 .0121 .0000 .0053 .0000 |
|
AlT1 .0100 .18584 .2239 .25 .0121 .0121 .0121 .0000 .0053 .0000 |
|
SiT2 .7108 .11828 .3442 .75 .0119 .0119 .0119 .0000 .0052 .0000 |
|
AlT2 .7108 .11828 .3442 .25 .0119 .0119 .0119 .0000 .0052 .0000 |
|
OA1 0 .1476 0 .0316 .0211 .0163 0 .0136 0 |
|
OA2 .6396 0 .2839 .0189 .0180 .0232 0 .0049 0 |
|
OB .8301 .1486 .2264 .0225 .0332 .0263 -.0058 .0147 .0003 |
|
OC .0361 .3103 .2572 .0192 .0203 .0214 -.0025 .0093 -.0018 |
|
OD .1782 .1272 .4026 .0227 .0236 .0160 .0027 .0053 .0013 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Sanidine |
|
Ferguson R B, Ball N A, Cerny P |
|
The Canadian Mineralogist 29 (1991) 543-552 |
|
Structure refinement of an adularian end-member high sanidine from the |
|
Buck Claim Pegmatite, Bernic Lake, Manitoba |
|
Sample: II |
|
Locality: Buck Claim Pegmatite, Bernic Lake, Manitoba, Canada |
|
Note: variety adularia |
|
_database_code_amcsd 0005271 |
|
8.608 13.041 7.180 90 115.98 90 C2/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K .2868 0 .1383 .0231 .0351 .0305 0 .0106 0 |
|
SiT1 .0100 .18569 .2237 .73 .0127 .0127 .0127 .0000 .0056 .0000 |
|
AlT1 .0100 .18569 .2237 .27 .0127 .0127 .0127 .0000 .0056 .0000 |
|
SiT2 .7108 .11824 .3442 .77 .0122 .0122 .0122 .0000 .0054 .0000 |
|
AlT2 .7108 .11824 .3442 .23 .0122 .0122 .0122 .0000 .0054 .0000 |
|
OA1 0 .1475 0 .0352 .0185 .0173 0 .0146 0 |
|
OA2 .6393 0 .2841 .0196 .0148 .0245 0 .0037 0 |
|
OB .8301 .1482 .2268 .0257 .0291 .0261 -.0038 .0147 .0011 |
|
OC .0363 .3107 .2579 .0229 .0143 .0236 -.0021 .0109 -.0023 |
|
OD .1785 .1272 .4036 .0257 .0192 .0173 .0019 .0078 .0011 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Sanidine |
|
Ferguson R B, Ball N A, Cerny P |
|
The Canadian Mineralogist 29 (1991) 543-552 |
|
Structure refinement of an adularian end-member high sanidine from the |
|
Buck Claim Pegmatite, Bernic Lake, Manitoba |
|
Sample: III |
|
Locality: Buck Claim Pegmatite, Bernic Lake, Manitoba, Canada |
|
Note: variety adularia |
|
_database_code_amcsd 0005272 |
|
8.611 13.046 7.175 90 116.01 90 C2/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K .2865 0 .1382 .0207 .0388 .0298 0 .0093 0 |
|
SiT1 .0100 .18572 .2238 .73 .0129 .0129 .0129 .0000 .0057 .0000 |
|
AlT1 .0100 .18572 .2238 .27 .0129 .0129 .0129 .0000 .0057 .0000 |
|
SiT2 .7107 .11825 .3442 .77 .0127 .0127 .0127 .0000 .0056 .0000 |
|
AlT2 .7107 .11825 .3442 .23 .0127 .0127 .0127 .0000 .0056 .0000 |
|
OA1 0 .1474 0 .0298 .0228 .0171 0 .0114 0 |
|
OA2 .6398 0 .2850 .0192 .0176 .0235 0 .0044 0 |
|
OB .8299 .1482 .2265 .0218 .0351 .0259 -.0043 .0135 .0001 |
|
OC .0362 .3109 .2576 .0193 .0199 .0219 -.0028 .0086 -.0029 |
|
OD .1788 .1268 .4035 .0233 .0231 .0168 .0023 .0051 .0012 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Sanidine |
|
Ferguson R B, Ball N A, Cerny P |
|
The Canadian Mineralogist 29 (1991) 543-552 |
|
Structure refinement of an adularian end-member high sanidine from the |
|
Buck Claim Pegmatite, Bernic Lake, Manitoba |
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Sample: IV |
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Locality: Buck Claim Pegmatite, Bernic Lake, Manitoba, Canada |
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Note: variety adularia |
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_database_code_amcsd 0005273 |
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8.606 13.017 7.185 90 115.97 90 C2/m |
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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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K .2864 0 .1384 .0201 .0351 .0288 0 .0093 0 |
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SiT1 .0098 .18558 .2239 .70 .0118 .0118 .0118 .0000 .0052 0 |
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AlT1 .0098 .18558 .2239 .30 .0118 .0118 .0118 .0000 .0000 .0000 |
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SiT2 .7106 .11816 .3444 .80 .0110 .0110 .0110 .0000 .0048 .0000 |
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AlT2 .7106 .11816 .3444 .20 .0110 .0110 .0110 .0000 .0048 .0000 |
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OA1 0 .1470 0 .0300 .0181 .01183 0 .0132 0 |
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OA2 .6392 0 .2844 .0184 .0149 .0241 0 .0042 0 |
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OB .8293 .1479 .2267 .0224 .0318 .0236 -.0032 .0138 .0011 |
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OC .0362 .3112 .2581 .0198 .0168 .0212 -.0028 .0093 -.0026 |
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OD .1788 .1268 .4046 .0224 .0213 .0136 .0022 .0044 .0014 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Krohnkite |
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Hawthorne F C, Ferguson R B |
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Acta Crystallographica B31 (1975) 1753-1755 |
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Refinement of the crystal structure of krohnkite |
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Locality: Chuquicamata, Chile |
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_database_code_amcsd 0009535 |
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5.807 12.656 5.517 90 108.32 90 P2_1/c |
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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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Na .5714 .1247 .2099 .01377 .00248 .01538 -.00016 .0086 -.00027 |
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Cu 0 0 0 .00744 .00141 .00711 0 .0005 0 |
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S .2375 .11793 .5445 .00628 .00119 .00518 .00004 .00156 -.00017 |
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O1 .0038 .1725 .4874 .00869 .00207 .01132 .00148 .00270 .00013 |
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O2 .2911 .0573 .7844 .01003 .00195 .00765 .00048 .00250 .00128 |
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O3 .2319 .0425 .3322 .00854 .00233 .00941 .00046 .00185 -.00198 |
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O4 .4385 .1923 .5617 .01033 .00189 .00992 -.00167 .00314 .00005 |
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Ow .8315 .1343 .9513 .00831 .00148 .00842 -.00054 .00157 -.00009 |
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H1 .927 .184 .992 .5 |
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H2 .712 .140 .792 .5 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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