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Tamaite |
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Hughes J M, Rakovan J F, Bracco R, Gunter M E |
 |
American Mineralogist 88 (2003) 1324-1330 |
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The atomic arrangemetn of the ganophyllite-group modulated layer silicates as |
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determined from the orthorhombic dimorph of tamaite, with the elusive 16.8 A |
|
ganophyllite-group superstructure revealed |
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Note: signs of the y-coordinates for O24 and O25 have been changed |
|
_database_code_amcsd 0003154 |
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16.8146 25.2036 13.3866 90 90 90 Pnma |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn1 -.58201 -.01781 .30893 .0135 .00919 .02295 .00828 -.00092 .00035 -.00313 |
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Mn2 -.58477 -.99737 .55744 .0133 .00676 .02366 .00939 -.00175 -.00018 -.00609 |
|
Mn3 -.74898 -.01450 .42999 .0151 .00748 .02824 .00958 -.00150 .00044 -.00449 |
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Mn4 -.74917 -.00989 .17972 .0195 .01042 .04001 .00820 .00063 .00049 .00135 |
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Mn5 -.91573 -.01802 .30845 .0169 .01327 .02575 .01160 -.00173 -.00020 .00136 |
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Mn6 -.58239 -.00233 .05744 .0092 .00528 .01654 .00578 -.00071 .00154 -.00020 |
|
Si1 -.87449 -.11773 .4679 .0090 .00525 .01578 .00606 .00182 -.00107 -.00055 |
|
Si2 -.85372 -.11855 .1378 .0110 .00412 .02035 .00842 .00067 -.00080 .00323 |
|
Si3 -.53570 -.12257 .1419 .0094 .00530 .01453 .00845 -.00247 .00130 -.00172 |
|
Si4 -.4746 -.90508 .3040 .0365 .08592 .01840 .00510 -.01249 -.00409 -.00261 |
|
Si5 -.6939 -.10480 .0262 .0117 .00679 .02271 .00556 .00065 .00103 .00153 |
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Si6 -.48436 -.88666 .5307 .0095 .00513 .01577 .00756 -.00162 .00082 -.00438 |
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Si7 -.1349 -.90364 .3056 .0406 .09004 .02561 .00626 .02111 .00293 .00101 |
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Si8 -.3071 -.90682 .2005 .0397 .06938 .03503 .01467 -.01357 -.00060 .00124 |
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Si9 -.70962 -.81341 .8138 .0106 .00629 .01699 .00854 .00082 .00092 -.00078 |
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Si10 -.39833 -.81326 .6817 .0104 .00794 .01535 .00779 -.00052 -.00035 -.00131 |
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O1H -.6393 -.9679 .4241 .0152 .01184 .02021 .01344 -.00004 -.00164 -.00418 |
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H1 -.639 -.938 .421 .02 |
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O2H -.6942 -.0422 .5670 .0145 .01063 .02429 .00849 -.00163 .00053 -.00134 |
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H2 -.700 -.079 .582 .07 |
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O3H -.6961 -.0544 .3020 .0147 .01146 .02255 .01010 -.00031 -.00186 -.00380 |
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H3 -.698 -.089 .31 .10 |
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O4 -.6344 -.9663 .1848 .021 .02321 .03078 .00877 .00556 .00090 .00329 |
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O5 -.8074 -.9697 .3045 .020 .02208 .02909 .00890 -.00276 .00365 -.00407 |
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O6 -.8617 -.0563 .4393 .0163 -.01311 .01941 .01637 -.00169 -.00388 .00095 |
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O7 -.8594 -.0569 .1703 .0143 .00984 .02186 .01113 -.00059 -.00163 .00101 |
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O8H -.4709 -.9664 .0710 .0169 .01821 .01598 .01658 -.00150 -.00157 .00003 |
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H8 -.472 -.931 .086 .02 |
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O9 -.5281 -.0623 .1814 .019 .01618 .02209 .01872 -.00383 .00863 -.00724 |
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O10 -.4761 -.8772 .4114 .0188 .02189 .02350 .01090 -.00338 .00305 -.00260 |
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O11 -.8697 -.1261 .5881 .0185 .01970 .02625 .00962 .00291 -.00334 -.00043 |
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O12 -.4748 -.9487 .5548 .0117 .00870 .01535 .01109 -.00201 -.00143 -.00671 |
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O13 -.9622 -.1371 .4319 .0131 .00813 .01807 .01303 -.00070 -.00434 -.00081 |
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O14 -.0383 -.1663 .2714 .0171 .00765 .02917 .01443 -.00013 -.00299 -.00465 |
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O15 -.1928 -.0415 .4580 .0159 .01142 .02571 .01049 -.00003 -.00061 -.00420 |
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O16 -.8059 -.8791 .4093 .024 .03235 .03115 .00876 -.00227 .00018 -.00058 |
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O17 -.8047 -.8231 .7838 .0170 .01256 .02647 .01183 -.00295 -.00099 -.00272 |
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O18 -.0271 -.0316 -.1904 .0181 .02126 .02281 .01012 -.00317 -.00036 .00100 |
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O19 -.0836 -.1496 .0803 .019 .01024 .02477 .02207 -.00578 .00107 .01021 |
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O20 -.5720 -.8664 .5649 .0152 .01100 .02103 .01350 .00112 .00526 .00059 |
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O21 -.7269 -.8702 .5741 .018 .00571 .02851 .02017 -.00132 -.00544 -.00086 |
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O22 -.6470 -.8416 .7317 .0176 .01242 .02760 .01267 .00252 .00126 -.01324 |
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O23 -.6156 -.1305 .0751 .018 .00658 .02719 .01966 -.00023 -.00568 -.00336 |
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O24 -.6827 -3/4 .8214 .019 .01390 .02060 .02308 .00000 .00002 .00000 |
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O25 -.0793 -1/4 .1583 .019 .01442 .02221 .01969 .00000 -.00048 .00000 |
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O26 -.3916 -.8848 .2515 .125 .24417 .02640 .10593 -.03166 .15269 -.01455 |
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O27 -.2215 -.8860 .2539 .112 .19782 .04023 .09811 .02172 -.12016 -.00622 |
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O28 -.055 -.8849 .249 .165 .31476 .00988 .17173 .00314 .22521 .00312 |
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O29 -.6929 -.8436 -.0759 .020 .01580 .03148 .01224 .00944 -.00017 .00542 |
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Ca -.5572 .25 .734 .149 .05071 .06410 .33367 .00000 .11402 .00000 |
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K -.443 .25 .424 .11 .11589 .06701 .14359 .00000 -.02436 .00000 |
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Wat1 -.693 -1/4 .084 .15 .25037 .07566 .11216 .00000 -.00654 .00000 |
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Wat2 -.3175 .25 .3200 .046 .06555 .07089 .00162 .00000 -.01035 .00000 |
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Wat3 -.3061 -.685 .430 .13 .04868 .22396 .11204 -.00098 .00012 -.06639 |
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Wat4 -.612 .25 .571 .13 .22030 .03561 .13644 .00000 .09126 .00000 |
|
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Fluorapatite |
 |
Hughes J M, Ertl A, Bernhardt H J, Rossman G R, Rakovan J F |
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American Mineralogist 89 (2004) 629-632 |
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Mn-rich fluorapatite from Autria: Crystal structure, chemical analysis, and |
|
spectroscopic investigations |
|
_database_code_amcsd 0003527 |
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9.3429 9.3429 6.8110 90 90 120 P6_3/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 1/3 2/3 -.00256 .72 .0131 .0137 .0137 .0118 .00683 0 0 |
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Mn1 1/3 2/3 -.00256 .28 .0131 .0137 .0137 .0118 .00683 0 0 |
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Ca2 .75861 .75194 .25 .96 .0124 .0139 .0124 .0115 .0069 0 0 |
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Mn2 .75861 .75194 .25 .04 .0124 .0139 .0124 .0115 .0069 0 0 |
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P .60081 .97137 .25 .0095 .0091 .0079 .0117 .0043 0 0 |
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O1 .6690 .15855 .25 .0159 .0202 .0086 .0190 .0074 0 0 |
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O2 .4111 .8767 .25 .0288 .0096 .0138 .062 .0048 0 0 |
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O3 .6591 .91763 .0701 .0274 .0537 .0246 .0156 .0284 .0142 .0066 |
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F 0 0 .25 .0305 .0176 .0176 .056 .0088 0 0 |
|
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Apatite-(CaF) |
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Hughes J M, Ertl A, Bernhardt H J, Rossman G R, Rakovan J F |
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American Mineralogist 89 (2004) 629-632 |
|
Mn-rich fluorapatite from Autria: Crystal structure, chemical analysis, and |
|
spectroscopic investigations |
|
_database_code_amcsd 0003528 |
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9.3429 9.3429 6.8110 90 90 120 P6_3/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 1/3 2/3 -.00256 .72 .0131 .0137 .0137 .0118 .00683 0 0 |
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Mn1 1/3 2/3 -.00256 .28 .0131 .0137 .0137 .0118 .00683 0 0 |
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Ca2 .75861 .75194 .25 .96 .0124 .0139 .0124 .0115 .0069 0 0 |
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Mn2 .75861 .75194 .25 .04 .0124 .0139 .0124 .0115 .0069 0 0 |
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P .60081 .97137 .25 .0095 .0091 .0079 .0117 .0043 0 0 |
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O1 .6690 .15855 .25 .0159 .0202 .0086 .0190 .0074 0 0 |
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O2 .4111 .8767 .25 .0288 .0096 .0138 .062 .0048 0 0 |
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O3 .6591 .91763 .0701 .0274 .0537 .0246 .0156 .0284 .0142 .0066 |
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F 0 0 .25 .0305 .0176 .0176 .056 .0088 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Coesite |
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Ikuta D, Kawame N, Banno S, Hirajima T, Ito K, Rakovan J F, Downs R T, Tamada O |
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American Mineralogist 92 (2007) 57-63 |
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First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass |
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thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details |
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Locality: Yangkou meta-igneous complex in the middle part of the Sulu UHP terrain, eastern China |
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Note: Sample is on a thin section |
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_database_code_amcsd 0004264 |
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7.140 12.371 7.175 90 120.34 90 C2/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si1 .1401 .1083 .0723 .014 .015 .012 .015 -.001 .008 -.001 |
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Si2 .5068 .1581 .5407 .015 .017 .013 .015 -.001 .009 .000 |
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O1 .0000 .0000 .0000 .016 .016 .013 .017 -.008 .008 -.006 |
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O2 .5000 .1162 .7500 .015 .020 .015 .012 .000 .010 .000 |
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O3 .2669 .1236 .9406 .020 .022 .024 .018 -.006 .013 -.005 |
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O4 .3104 .1042 .3275 .020 .023 .021 .016 -.008 .009 -.005 |
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O5 .0167 .2120 .4780 .017 .021 .014 .021 -.001 .014 .001 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Quartz |
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Ikuta D, Kawame N, Banno S, Hirajima T, Ito K, Rakovan J F, Downs R T, Tamada O |
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American Mineralogist 92 (2007) 57-63 |
|
First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass |
|
thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details |
|
Locality: Yangkou meta-igneous complex in the middle part of the Sulu UHP terrain, eastern China |
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Note: Sample is on a thin section |
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_database_code_amcsd 0004265 |
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4.923 4.923 5.409 90 90 120 *P3_221 |
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0 0 .6666666666666666667 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si .468 0 0 .022 .026 .014 .023 .007 -.004 -.008 |
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O .414 .264 .121 .028 .033 .023 .030 .015 .004 -.008 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Quartz |
|
Ikuta D, Kawame N, Banno S, Hirajima T, Ito K, Rakovan J F, Downs R T, Tamada O |
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American Mineralogist 92 (2007) 57-63 |
|
First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass |
|
thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details |
|
Locality: Oomine granite, Tenkawa-mura, Nara, Southwest Japan |
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Sample: in air |
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_database_code_amcsd 0004266 |
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4.918 4.918 5.407 90 90 120 *P3_221 |
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0 0 .6666666666666666667 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si .4696 0 0 .0077 .0090 .0069 .0065 .0034 -.0002 -.0003 |
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O .4132 .2679 .1191 .0123 .0166 .0123 .0113 .0097 -.0039 -.0036 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Quartz |
|
Ikuta D, Kawame N, Banno S, Hirajima T, Ito K, Rakovan J F, Downs R T, Tamada O |
|
American Mineralogist 92 (2007) 57-63 |
|
First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass |
|
thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details |
|
Locality: Oomine granite, Tenkawa-mura, Nara, Southwest Japan |
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Sample: in a thin section |
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_database_code_amcsd 0004267 |
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4.917 4.917 5.410 90 90 120 *P3_221 |
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0 0 .6666666666666666667 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si .4702 0 0 .0096 .0096 .0086 .0099 .0043 -.0001 -.0002 |
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O .4137 .2672 .1194 .0135 .0170 .0127 .0144 .0098 -.0019 -.0043 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Rakovan J F, Hughes J M |
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The Canadian Mineralogist 38 (2000) 839-845 |
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Strontium in the apatite structure: Strontian fluorapatite and belovite-(Ce) |
|
_database_code_amcsd 0005688 |
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9.416 9.416 6.924 90 90 120 P6_3/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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Ca(1) 2/3 1/3 .0004 .9741 .842 .00341 .00341 .0037 .001705 0 0 |
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Sr(1) 2/3 1/3 .0004 .0259 .842 .00341 .00341 .0037 .001705 0 0 |
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Ca(2) .24967 .01007 1/4 .8229 .912 .00310 .00331 .00448 .001125 0 0 |
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Sr(2) .24967 .01007 1/4 .1771 .912 .00310 .00331 .00448 .001125 0 0 |
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P .02937 .63066 1/4 .66 .00208 .00230 .0041 .000905 0 0 |
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O(1) .4849 .3278 1/4 1.16 .0044 .0053 .0068 .00355 0 0 |
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O(2) .4129 .8794 1/4 1.30 .0027 .0037 .0111 .0014 0 0 |
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O(3) .0836 .7422 .0721 1.50 .0053 .0043 .0061 .0004 -.00095 .0019 |
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F 0 0 1/4 2.68 .0063 .0063 .025 .00315 0 0 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
Rakovan J F, Hughes J M |
|
The Canadian Mineralogist 38 (2000) 839-845 |
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Strontium in the apatite structure: Strontian fluorapatite and belovite-(Ce) |
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_database_code_amcsd 0005689 |
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9.416 9.416 6.924 90 90 120 P6_3/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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Ca(1) 2/3 1/3 .0004 .9741 .842 .00341 .00341 .0037 .001705 0 0 |
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Sr(1) 2/3 1/3 .0004 .0259 .842 .00341 .00341 .0037 .001705 0 0 |
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Ca(2) .24967 .01007 1/4 .8229 .912 .00310 .00331 .00448 .001125 0 0 |
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Sr(2) .24967 .01007 1/4 .1771 .912 .00310 .00331 .00448 .001125 0 0 |
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P .02937 .63066 1/4 .66 .00208 .00230 .0041 .000905 0 0 |
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O(1) .4849 .3278 1/4 1.16 .0044 .0053 .0068 .00355 0 0 |
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O(2) .4129 .8794 1/4 1.30 .0027 .0037 .0111 .0014 0 0 |
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O(3) .0836 .7422 .0721 1.50 .0053 .0043 .0061 .0004 -.00095 .0019 |
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F 0 0 1/4 2.68 .0063 .0063 .025 .00315 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Belovite-(Ce) |
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Rakovan J F, Hughes J M |
|
The Canadian Mineralogist 38 (2000) 839-845 |
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Strontium in the apatite structure: Strontian fluorapatite and belovite-(Ce) |
|
_database_code_amcsd 0005690 |
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9.659 9.659 7.182 90 90 120 P-3 |
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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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Ce 1/3 2/3 .48227 .9167 .767 .00260 .00260 .00409 .00130 0 0 |
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Na 1/3 2/3 .9881 1.502 .88 .0035 .0035 .0032 .00175 0 0 |
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Sr .23726 -.01866 .75818 1.012 1.065 .00455 .00329 .00437 .00170 .00009 -.000385 |
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P .5970 -.3730 .2534 .79 .00324 .0028 .0037 .00175 -.0001 -.00025 |
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O(1) .1501 -.3415 .7299 1.40 .0030 .0073 .0060 .00245 .0005 .00055 |
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O(2) .8764 .4157 .7756 1.45 .0042 .0035 .0100 .00155 -.0002 .0009 |
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O(3) .7274 .0981 .5656 1.56 .0062 .0055 .0052 .00215 .00205 .00105 |
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O(4) .3132 .2558 .9018 2.04 .0117 .0049 .0068 .0040 .0049 .0021 |
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F 0 0 .289 3.2 .0052 .0052 .032 .0013 0 0 |
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Cl 0 0 1/2 .021 2.68 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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Dickthomssenite |
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Hughes J M, Cureton F E, Marty J, Gault R A, Gunter M E, |
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Campana C F, Rakovan J F, Sommer A J, Brueseke M E |
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The Canadian Mineralogist 39 (2001) 1691-1700 |
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Dickthomssenite, Mg(V2O6).7H2O, a new mineral species from the Firefly-Pigmay mine, Utah: |
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Descriptive mineralogy and arrangement of atoms |
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Locality: Firefly-Pigmay mine, Utah, USA |
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_database_code_amcsd 0005758 |
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38.954 7.2010 16.3465 90 97.602 90 C2/c |
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atom x y z Uiso |
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V1 .1506 .1163 .2101 .008 |
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V2 .0991 .3673 .2912 .009 |
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V3 .1518 .6170 .2117 .009 |
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V4 .0987 .8661 .2904 .009 |
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Mg1 .1255 .6238 .0018 .019 |
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Mg2 0 1/2 0 .021 |
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Mg3 3/4 3/4 1/2 .022 |
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O1 .1132 .1176 .2833 .020 |
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O2 .1364 .3688 .2184 .019 |
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O3 .1157 .6180 .2906 .016 |
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O4 .1346 .8663 .2117 .016 |
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O5 .1895 .1120 .2605 .023 |
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O6 .1547 .1253 .1095 .018 |
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O7 .0607 .3744 .2388 .022 |
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O8 .0930 .6350 -.1086 .015 |
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O9 .1896 .6249 .2653 .023 |
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O10 .1581 .6154 .1119 .015 |
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O11 .0604 .8582 .2377 .024 |
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O12 .0937 .8754 .3903 .022 |
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Ow13 .1435 .8942 -.0206 .026 |
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H13A .1250 .9576 -.0237 .031 |
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H13B .1553 .9412 .0218 .031 |
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Ow14 .0900 .7474 .0675 .036 |
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H14A .0964 .7313 .1188 .044 |
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H14B .0847 .8543 .0477 .044 |
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Ow15 .1062 .3563 .0191 .025 |
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H15A .1113 .2898 -.0205 .029 |
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H15B .0954 .2869 .0492 .029 |
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Ow16 .1607 .4948 -.0646 .038 |
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H16A .1621 .5505 -.1098 .045 |
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H16B .1807 .4920 -.0367 .045 |
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Ow17 -.0264 .5035 .0997 .025 |
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H17A -.0332 .6136 .1072 .030 |
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H17B -.0131 .4663 .1420 .030 |
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Ow18 .0416 .3922 .0715 .040 |
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H18A .0352 .2958 .0953 .048 |
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H18B .0572 .3634 .0421 .048 |
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Ow19 -.0188 .2306 -.0267 .030 |
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H19A -.0056 .1600 .0052 .036 |
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H19B -.0332 .1581 -.0542 .036 |
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Ow20 .7762 .7523 .4015 .028 |
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H20A .7723 .6677 .3652 .034 |
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H20B .7803 .8633 .3878 .034 |
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Ow21 .7918 .8566 .5734 .039 |
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H21A .7966 .9656 .5586 .046 |
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H21B .8097 .7911 .5697 .046 |
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Ow22 .7680 .4802 .5271 .030 |
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H22A .7561 .4064 .4941 .036 |
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H22B .7829 .4102 .5546 .036 |
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Ow23 .7503 .4161 .2475 .024 |
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H23A .7684 .4801 .2440 .029 |
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H23B .7425 .3657 .2018 .029 |
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Ow24 .7748 .2516 .3974 .030 |
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H24A .7614 .1811 .4204 .036 |
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H24B .7956 .2169 .3965 .036 |
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Ow25 .9755 .0019 .6015 .028 |
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H25A .9547 .0393 .6005 .034 |
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H25B .9887 .0726 .5782 .034 |
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Ow26 0 .3382 3/4 .026 |
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H26 .9814 .3070 .7682 .031 |
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Ow27 0 .8307 3/4 .030 |
|
H27 .9926 .8833 .7045 .036 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hummerite |
|
Hughes J M, Schindler M, Rakovan J F, Cureton F E |
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The Canadian Mineralogist 40 (2002) 1429-1435 |
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The crystal structure of hummerite, K Mg(V5O14).8H2O: |
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Bonding between the [V10O28] structural units and the |
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{K2Mg2(H2O)16} interstitial complex |
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_database_code_amcsd 0005792 |
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8.8178 10.7236 11.0707 65.789 74.057 71.853 P-1 |
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atom x y z Uiso |
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V1 .67554 .50637 .51942 .01666 |
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V2 .38822 .77792 .45258 .01881 |
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V3 .35314 .54862 .73003 .01796 |
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V4 .69385 .73938 .24167 .02152 |
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V5 .63029 .27648 .79897 .02128 |
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OV1 .2994 .89304 .52256 .0265 |
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OV2 .2848 .83219 .31048 .0222 |
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OV3 .5243 .64321 .59189 .0173 |
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OV4 .7659 .40873 .65734 .0212 |
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OV5 .7965 .61357 .41051 .0215 |
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OV6 .51599 .59950 .37888 .0174 |
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OV7 .2619 .66643 .79624 .0262 |
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OV8 .2222 .42672 .80217 .0217 |
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OV9 .5080 .43901 .83715 .0207 |
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OV10 .5677 .84241 .34664 .0215 |
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OV11 .4542 .19578 .87099 .0235 |
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OV12 .8291 .8273 .1546 .03200 |
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OV13 .7389 .36696 .43906 .0182 |
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OV14 .7376 .1985 .9158 .0328 |
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K .32958 .90849 .78152 .03728 |
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Mg .78293 .73370 .78507 .02159 |
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OI1 .9105 .5704 .7195 .0478 |
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HI1A .878 .526 .698 .039 |
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HI1B .992 .550 .731 .061 |
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OI2 .6407 .8942 .8556 .0286 |
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HI2A .646 .963 .820 .050 |
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HI2B .623 .874 .932 .034 |
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OI3 .0601 1.1546 .5971 .0529 |
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HI3A -.016 1.148 .622 .12 |
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HI3B .087 1.225 .583 .09 |
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OI4 .0027 .9361 .8764 .0489 |
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HI4A -.020 .893 .945 .16 |
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H14B .001 1.004 .856 .23 |
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OI5 .9203 .6579 .9340 .0326 |
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HI5A .896 .628 1.003 .057 |
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HI5B 1.012 .652 .934 .087 |
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OI6 .6492 .8212 .6308 .0306 |
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HI6A .622 .773 .608 .032 |
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HI6B .673 .866 .571 .074 |
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OI7 .6060 .6259 .8963 .0333 |
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HI7A .592 .567 .874 .032 |
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HI7B .583 .606 .973 .040 |
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OI8 .9457 .8538 .6639 .0422 |
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HI8A 1.009 .857 .686 .10 |
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HI8B .954 .868 .599 .17 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Lithiophilite |
|
Losey A, Rakovan J F, Hughes J M, Francis C A, Dyar M D |
|
The Canadian Mineralogist 42 (2004) 1105-1115 |
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Structural variation in the lithiophilite-triphylite series |
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and other olivine-group structures |
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Note: sample Trip06 |
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Locality: Bennett Quarry, Buckfield, Maine |
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_database_code_amcsd 0005976 |
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4.7383 10.429 6.0923 90 90 90 Pbnm |
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atom x y z occ Biso |
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Li 0 0 0 1.7 |
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Mn .97154 .28163 .25 .933 .580 |
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Fe .97154 .28163 .25 .062 .580 |
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P .4091 .09238 .25 .52 |
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O1 .7310 .0966 .25 .85 |
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O2 .2115 .4558 .25 .78 |
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O3 .2770 .1617 .0494 .79 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lithiophilite |
|
Losey A, Rakovan J F, Hughes J M, Francis C A, Dyar M D |
|
The Canadian Mineralogist 42 (2004) 1105-1115 |
|
Structural variation in the lithiophilite-triphylite series |
|
and other olivine-group structures |
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Sample: Trip27 |
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Locality: Fillow Quarry, Branchville, Connecticut |
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_database_code_amcsd 0005977 |
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4.7247 10.4084 6.0705 90 90 90 Pbnm |
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atom x y z occ Biso |
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Li 0 0 0 1.59 |
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Mn .97253 .28183 .25 .704 .558 |
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Fe .97253 .28183 .25 .265 .558 |
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P .4113 .09309 .25 .560 |
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O1 .7343 .0968 .25 .85 |
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O2 .2104 .4559 .25 .86 |
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O3 .2787 .1625 .0487 .86 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Triphylite |
|
Losey A, Rakovan J F, Hughes J M, Francis C A, Dyar M D |
|
The Canadian Mineralogist 42 (2004) 1105-1115 |
|
Structural variation in the lithiophilite-triphylite series |
|
and other olivine-group structures |
|
Sample: Trip50 |
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Locality: BB#7 Quarry, Norway, Maine |
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_database_code_amcsd 0005978 |
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4.7138 10.3826 6.0499 90 90 90 Pbnm |
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atom x y z occ Biso |
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Li 0 0 0 1.50 |
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Mn .97362 .28199 .25 .497 .594 |
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Fe .97362 .28199 .25 .503 .594 |
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P .4138 .09364 .25 .65 |
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O1 .7366 .0969 .25 .94 |
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O2 .2089 .4562 .25 .92 |
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O3 .2813 .1635 .0478 .97 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Triphylite |
|
Losey A, Rakovan J F, Hughes J M, Francis C A, Dyar M D |
|
The Canadian Mineralogist 42 (2004) 1105-1115 |
|
Structural variation in the lithiophilite-triphylite series |
|
and other olivine-group structures |
|
Sample: Trip79 |
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Locality: Palermo #1 Quarry, Groton, New Hampshire |
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_database_code_amcsd 0005979 |
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4.7006 10.341 6.0166 90 90 90 Pbnm |
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atom x y z occ Biso |
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Li 0 0 0 .78 |
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Mn .97463 .28200 .25 .201 .592 |
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Mg .97463 .28200 .25 .056 .592 |
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Fe .97463 .28200 .25 .753 .592 |
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P .4164 .09448 .25 .419 |
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O1 .7402 .0970 .25 .73 |
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O2 .2062 .4570 .25 .65 |
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O3 .2836 .1649 .0472 .69 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Triphylite |
|
Losey A, Rakovan J F, Hughes J M, Francis C A, Dyar M D |
|
The Canadian Mineralogist 42 (2004) 1105-1115 |
|
Structural variation in the lithiophilite-triphylite series |
|
and other olivine-group structures |
|
Sample: Trip89 |
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Locality: G.E. Smith Quarry, Newport, New Hampshire |
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_database_code_amcsd 0005980 |
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4.6904 10.2855 5.9871 90 90 90 Pbnm |
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atom x y z occ Biso |
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Li 0 0 0 1.55 |
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Mn .9746 .28164 .25 .089 .593 |
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Mg .9746 .28164 .25 .234 .593 |
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Fe .9746 .28164 .25 .687 .593 |
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P .4169 .09476 .25 .59 |
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O1 .7412 .0983 .25 .83 |
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O2 .2055 .4560 .25 .81 |
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O3 .2827 .1655 .0465 .84 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorcaphite |
|
Chakhmouradian A R, Hughes J M, Rakovan J F |
|
The Canadian Mineralogist 43 (2005) 735-746 |
|
Fluorcaphite, a second occurrence and detailed structural analysis: |
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Simultaneous accommodation of Ca, Sr, Na, LREE in the apatite atomic arrangement |
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Sample: Mt. Selsurt, Lovozero, Russia |
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_database_code_amcsd 0006014 |
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9.4456 9.4456 6.9520 90 90 120 P6_3 |
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atom x y z occ Uiso |
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Ca1 2/3 1/3 .0000 .480 .0147 |
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Sr1 2/3 1/3 .0000 .115 .0147 |
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Na1 2/3 1/3 .0000 .290 .0147 |
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Ce1 2/3 1/3 .0000 .110 .0147 |
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La1 2/3 1/3 .0000 .005 .0147 |
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Ca1' 2/3 1/3 .5013 .575 .0114 |
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Na1' 2/3 1/3 .5013 .295 .0114 |
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Ce1' 2/3 1/3 .5013 .110 .0114 |
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Nd1' 2/3 1/3 .5013 .020 .0114 |
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Sr2 .76156 .01185 .25 .492 .01133 |
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Ca2 .76156 .01185 .25 .465 .01133 |
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La2 .76156 .01185 .25 .043 .01133 |
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P .60116 -.36970 .2522 .00992 |
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O1 .84353 .32851 .2549 .0167 |
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O2 .41362 -.46562 .2537 .0197 |
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O3 .6532 -.2591 .0736 .0206 |
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O3' .6651 -.2573 .4271 .0244 |
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F 0 0 .248 .958 .0372 |
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OH 0 0 .248 .042 .0372 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorcaphite |
|
Chakhmouradian A R, Hughes J M, Rakovan J F |
|
The Canadian Mineralogist 43 (2005) 735-746 |
|
Fluorcaphite, a second occurrence and detailed structural analysis: |
|
Simultaneous accommodation of Ca, Sr, Na, LREE in the apatite atomic arrangement |
|
Sample: Mt. Koashva, Khibina complex, Kola Peninsula, northwestern Russia |
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_database_code_amcsd 0006015 |
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9.4853 9.4853 6.9862 90 90 120 P6_3 |
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atom x y z occ Uiso |
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Ca1 2/3 1/3 -.0017 .585 .0148 |
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Sr1 2/3 1/3 -.0017 .210 .0148 |
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Na1 2/3 1/3 -.0017 .195 .0148 |
|
La1 2/3 1/3 -.0017 .010 .0148 |
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Ca1' 2/3 1/3 .5013 .880 .0124 |
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Ce1' 2/3 1/3 .5013 .065 .0124 |
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Nd1' 2/3 1/3 .5013 .015 .0124 |
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Pr1' 2/3 1/3 .5013 .040 .0124 |
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Sr2 .76099 .01279 .25 .278 .01182 |
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Ca2 .76099 .01279 .25 .610 .01182 |
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La2 .76099 .01279 .25 .055 .01182 |
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Ce2 .76099 .01279 .25 .040 .01182 |
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Nd2 .76099 .01279 .25 .017 .01182 |
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P .60118 -.36967 .2522 .0102 |
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O1 .8441 .3286 .2561 .0176 |
|
O2 .4143 -.4654 .2493 .0221 |
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O3 .6518 -.2608 .0726 .020 |
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O3' .6665 -.2556 .4250 .030 |
|
F 0 0 .246 .749 .052 |
|
OH 0 0 .246 .251 .052 |
|
|
| 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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