|
Tamaite |
| |
Hughes J M, Rakovan J F, Bracco R, Gunter M E |
 |
American Mineralogist 88 (2003) 1324-1330 |
|
The atomic arrangemetn of the ganophyllite-group modulated layer silicates as |
|
determined from the orthorhombic dimorph of tamaite, with the elusive 16.8 A |
|
ganophyllite-group superstructure revealed |
|
Note: signs of the y-coordinates for O24 and O25 have been changed |
|
_database_code_amcsd 0003154 |
|
16.8146 25.2036 13.3866 90 90 90 Pnma |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 -.58201 -.01781 .30893 .0135 .00919 .02295 .00828 -.00092 .00035 -.00313 |
|
Mn2 -.58477 -.99737 .55744 .0133 .00676 .02366 .00939 -.00175 -.00018 -.00609 |
|
Mn3 -.74898 -.01450 .42999 .0151 .00748 .02824 .00958 -.00150 .00044 -.00449 |
|
Mn4 -.74917 -.00989 .17972 .0195 .01042 .04001 .00820 .00063 .00049 .00135 |
|
Mn5 -.91573 -.01802 .30845 .0169 .01327 .02575 .01160 -.00173 -.00020 .00136 |
|
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 |
|
Si6 -.48436 -.88666 .5307 .0095 .00513 .01577 .00756 -.00162 .00082 -.00438 |
|
Si7 -.1349 -.90364 .3056 .0406 .09004 .02561 .00626 .02111 .00293 .00101 |
|
Si8 -.3071 -.90682 .2005 .0397 .06938 .03503 .01467 -.01357 -.00060 .00124 |
|
Si9 -.70962 -.81341 .8138 .0106 .00629 .01699 .00854 .00082 .00092 -.00078 |
|
Si10 -.39833 -.81326 .6817 .0104 .00794 .01535 .00779 -.00052 -.00035 -.00131 |
|
O1H -.6393 -.9679 .4241 .0152 .01184 .02021 .01344 -.00004 -.00164 -.00418 |
|
H1 -.639 -.938 .421 .02 |
|
O2H -.6942 -.0422 .5670 .0145 .01063 .02429 .00849 -.00163 .00053 -.00134 |
|
H2 -.700 -.079 .582 .07 |
|
O3H -.6961 -.0544 .3020 .0147 .01146 .02255 .01010 -.00031 -.00186 -.00380 |
|
H3 -.698 -.089 .31 .10 |
|
O4 -.6344 -.9663 .1848 .021 .02321 .03078 .00877 .00556 .00090 .00329 |
|
O5 -.8074 -.9697 .3045 .020 .02208 .02909 .00890 -.00276 .00365 -.00407 |
|
O6 -.8617 -.0563 .4393 .0163 -.01311 .01941 .01637 -.00169 -.00388 .00095 |
|
O7 -.8594 -.0569 .1703 .0143 .00984 .02186 .01113 -.00059 -.00163 .00101 |
|
O8H -.4709 -.9664 .0710 .0169 .01821 .01598 .01658 -.00150 -.00157 .00003 |
|
H8 -.472 -.931 .086 .02 |
|
O9 -.5281 -.0623 .1814 .019 .01618 .02209 .01872 -.00383 .00863 -.00724 |
|
O10 -.4761 -.8772 .4114 .0188 .02189 .02350 .01090 -.00338 .00305 -.00260 |
|
O11 -.8697 -.1261 .5881 .0185 .01970 .02625 .00962 .00291 -.00334 -.00043 |
|
O12 -.4748 -.9487 .5548 .0117 .00870 .01535 .01109 -.00201 -.00143 -.00671 |
|
O13 -.9622 -.1371 .4319 .0131 .00813 .01807 .01303 -.00070 -.00434 -.00081 |
|
O14 -.0383 -.1663 .2714 .0171 .00765 .02917 .01443 -.00013 -.00299 -.00465 |
|
O15 -.1928 -.0415 .4580 .0159 .01142 .02571 .01049 -.00003 -.00061 -.00420 |
|
O16 -.8059 -.8791 .4093 .024 .03235 .03115 .00876 -.00227 .00018 -.00058 |
|
O17 -.8047 -.8231 .7838 .0170 .01256 .02647 .01183 -.00295 -.00099 -.00272 |
|
O18 -.0271 -.0316 -.1904 .0181 .02126 .02281 .01012 -.00317 -.00036 .00100 |
|
O19 -.0836 -.1496 .0803 .019 .01024 .02477 .02207 -.00578 .00107 .01021 |
|
O20 -.5720 -.8664 .5649 .0152 .01100 .02103 .01350 .00112 .00526 .00059 |
|
O21 -.7269 -.8702 .5741 .018 .00571 .02851 .02017 -.00132 -.00544 -.00086 |
|
O22 -.6470 -.8416 .7317 .0176 .01242 .02760 .01267 .00252 .00126 -.01324 |
|
O23 -.6156 -.1305 .0751 .018 .00658 .02719 .01966 -.00023 -.00568 -.00336 |
|
O24 -.6827 -3/4 .8214 .019 .01390 .02060 .02308 .00000 .00002 .00000 |
|
O25 -.0793 -1/4 .1583 .019 .01442 .02221 .01969 .00000 -.00048 .00000 |
|
O26 -.3916 -.8848 .2515 .125 .24417 .02640 .10593 -.03166 .15269 -.01455 |
|
O27 -.2215 -.8860 .2539 .112 .19782 .04023 .09811 .02172 -.12016 -.00622 |
|
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 |
|
Ca -.5572 .25 .734 .149 .05071 .06410 .33367 .00000 .11402 .00000 |
|
K -.443 .25 .424 .11 .11589 .06701 .14359 .00000 -.02436 .00000 |
|
Wat1 -.693 -1/4 .084 .15 .25037 .07566 .11216 .00000 -.00654 .00000 |
|
Wat2 -.3175 .25 .3200 .046 .06555 .07089 .00162 .00000 -.01035 .00000 |
|
Wat3 -.3061 -.685 .430 .13 .04868 .22396 .11204 -.00098 .00012 -.06639 |
|
Wat4 -.612 .25 .571 .13 .22030 .03561 .13644 .00000 .09126 .00000 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Fluorapatite |
 |
Hughes J M, Ertl A, Bernhardt H J, Rossman G R, Rakovan J F |
|
American Mineralogist 89 (2004) 629-632 |
|
Mn-rich fluorapatite from Autria: Crystal structure, chemical analysis, and |
|
spectroscopic investigations |
|
_database_code_amcsd 0003527 |
|
9.3429 9.3429 6.8110 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 1/3 2/3 -.00256 .72 .0131 .0137 .0137 .0118 .00683 0 0 |
|
Mn1 1/3 2/3 -.00256 .28 .0131 .0137 .0137 .0118 .00683 0 0 |
|
Ca2 .75861 .75194 .25 .96 .0124 .0139 .0124 .0115 .0069 0 0 |
|
Mn2 .75861 .75194 .25 .04 .0124 .0139 .0124 .0115 .0069 0 0 |
|
P .60081 .97137 .25 .0095 .0091 .0079 .0117 .0043 0 0 |
|
O1 .6690 .15855 .25 .0159 .0202 .0086 .0190 .0074 0 0 |
|
O2 .4111 .8767 .25 .0288 .0096 .0138 .062 .0048 0 0 |
|
O3 .6591 .91763 .0701 .0274 .0537 .0246 .0156 .0284 .0142 .0066 |
|
F 0 0 .25 .0305 .0176 .0176 .056 .0088 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Apatite-(CaF) |
|
Hughes J M, Ertl A, Bernhardt H J, Rossman G R, Rakovan J F |
|
American Mineralogist 89 (2004) 629-632 |
|
Mn-rich fluorapatite from Autria: Crystal structure, chemical analysis, and |
|
spectroscopic investigations |
|
_database_code_amcsd 0003528 |
|
9.3429 9.3429 6.8110 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 1/3 2/3 -.00256 .72 .0131 .0137 .0137 .0118 .00683 0 0 |
|
Mn1 1/3 2/3 -.00256 .28 .0131 .0137 .0137 .0118 .00683 0 0 |
|
Ca2 .75861 .75194 .25 .96 .0124 .0139 .0124 .0115 .0069 0 0 |
|
Mn2 .75861 .75194 .25 .04 .0124 .0139 .0124 .0115 .0069 0 0 |
|
P .60081 .97137 .25 .0095 .0091 .0079 .0117 .0043 0 0 |
|
O1 .6690 .15855 .25 .0159 .0202 .0086 .0190 .0074 0 0 |
|
O2 .4111 .8767 .25 .0288 .0096 .0138 .062 .0048 0 0 |
|
O3 .6591 .91763 .0701 .0274 .0537 .0246 .0156 .0284 .0142 .0066 |
|
F 0 0 .25 .0305 .0176 .0176 .056 .0088 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Coesite |
|
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: 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 |
|
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 |
|
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: Yangkou meta-igneous complex in the middle part of the Sulu UHP terrain, eastern China |
|
Note: Sample is on a thin section |
|
_database_code_amcsd 0004265 |
|
4.923 4.923 5.409 90 90 120 *P3_221 |
|
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) |
|
Si .468 0 0 .022 .026 .014 .023 .007 -.004 -.008 |
|
O .414 .264 .121 .028 .033 .023 .030 .015 .004 -.008 |
|
|
| Download AMC data (View Text File)
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|
| |
|
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 |
|
Sample: in air |
|
_database_code_amcsd 0004266 |
|
4.918 4.918 5.407 90 90 120 *P3_221 |
|
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) |
|
Si .4696 0 0 .0077 .0090 .0069 .0065 .0034 -.0002 -.0003 |
|
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 |
|
Sample: in a thin section |
|
_database_code_amcsd 0004267 |
|
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) |
|
Si .4702 0 0 .0096 .0096 .0086 .0099 .0043 -.0001 -.0002 |
|
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
|
| |
|
Whitlockite |
|
Hughes J M, Jolliff B L, Rakovan J |
| |
American Mineralogist 93 (2008) 1300-1305 |
|
The crystal chemistry of whitlockite and merrillite and the dehydrogenation of whitlockite to merrillite |
|
Locality: Palermo Mine, North Groton, Grafton County, New Hampshire |
|
_database_code_amcsd 0004622 |
|
10.3612 10.3612 37.096 90 90 120 R3c |
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atom x y z occ Uiso |
|
Mg 0 0 0 .571 .0089 |
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Fe 0 0 0 .429 .0089 |
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CaB1 .27895 .14521 .56616 .01015 |
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CaB2 .38756 .17949 .76821 .01128 |
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CaB .28589 .15301 .67340 .02297 |
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PB1 .31608 .14232 .86487 .00908 |
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PB2 .34973 .15633 .96794 .00909 |
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OIB1 .2719 .0913 .82566 .0199 |
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OIIB1 .24554 .23150 .87850 .0154 |
|
OIIB3 .27315 .00089 .88698 .0118 |
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OIIB5 .48750 .24141 .86869 .0139 |
|
OIIB2 .39897 .04698 .95475 .0138 |
|
OIIB4 .41720 .30286 .94715 .0170 |
|
OIIB6 .17844 .07904 .96333 .0121 |
|
OIB2 .3989 .19368 .00765 .0174 |
|
OHIA 0 0 .7974 .693 .034 |
|
PA 0 0 .75472 .725 .0128 |
|
OIIA -.0230 .1290 .7409 .57 .0111 |
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CaIIA 0 0 .8111 .181 .038 |
|
PA' 0 0 .73290 .275 .0048 |
|
OIA' 0 0 .6923 .307 .011 |
|
OIIA' -.0068 .1359 .7484 .43 .0115 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Whitlockite |
|
Hughes J M, Jolliff B L, Rakovan J |
| |
American Mineralogist 93 (2008) 1300-1305 |
|
The crystal chemistry of whitlockite and merrillite and the |
|
dehydrogenation of whitlockite to merrillite |
|
Locality: Tip Top Pegmatite, Custer County, South Dakota |
|
_database_code_amcsd 0004623 |
|
10.3477 10.3477 37.077 90 90 120 R3c |
|
atom x y z occ Uiso |
|
CaIIB1 .28086 .14684 .56524 .01064 |
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CaIIB2 .38857 .18041 .76783 .01180 |
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CaIB .29316 .15677 .67249 .02103 |
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CaIIA' 0 0 .804 .061 .16 |
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Mg 0 0 0 .986 .0092 |
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Fe 0 0 0 .014 .0092 |
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PB1 .31789 .14369 .86415 .00928 |
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PB2 .35105 .15782 .96743 .00905 |
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OIB1 .27590 .09227 .82502 .0176 |
|
OIIB1 .24752 .23409 .87751 .0153 |
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OIIB3 .27268 .00219 .88649 .0119 |
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OIIB5 .48953 .24215 .86839 .0127 |
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OIIB2 .39930 .04767 .95395 .0141 |
|
OIIB4 .41485 .30319 .94625 .0158 |
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OIIB6 .17944 .07920 .96426 .0110 |
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OIB2 .40594 .19802 .00678 .0145 |
|
OHIA 0 0 .79603 .890 .0281 |
|
PA 0 0 .75338 .961 .0137 |
|
OIIA -.0254 .1266 .7394 .66 .0115 |
|
PA' 0 0 .7306 .039 .000 |
|
OIA' 0 0 .6900 .110 .035 |
|
OIIA' -.0111 .1350 .7463 .34 .0138 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Whitlockite |
|
Hughes J M, Jolliff B L, Rakovan J |
| |
American Mineralogist 93 (2008) 1300-1305 |
|
The crystal chemistry of whitlockite and merrillite and the |
|
dehydrogenation of whitlockite to merrillite |
|
Locality: synthetic |
|
Note: Standard temperature and pressure |
|
_database_code_amcsd 0004624 |
|
10.3571 10.3571 37.138 90 90 120 R3c |
|
atom x y z occ Uiso |
|
CaIIB1 .28103 .14681 .56524 .01046 |
|
CaIIB2 .38774 .18010 .76772 .01083 |
|
CaIB .29481 .15772 .67220 .02000 |
|
CaIIA' 0 0 .785 .060 .21 |
|
Mg 0 0 0 .921 .0086 |
|
Fe 0 0 0 .079 .0086 |
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PB1 .31784 .14377 .86425 .00902 |
|
PB2 .35115 .15823 .96727 .00883 |
|
OIB1 .27767 .09381 .82512 .0179 |
|
OIIB1 .24695 .23366 .87756 .0145 |
|
OIIB3 .27216 .00147 .88632 .0118 |
|
OIIB5 .48960 .24229 .86891 .0146 |
|
OIIB2 .39967 .04862 .95375 .0141 |
|
OIIB4 .41517 .30397 .94640 .0158 |
|
OIIB6 .17978 .07952 .96382 .0126 |
|
OIB2 .40528 .19756 .00669 .0149 |
|
OHIA 0 0 .79590 .870 .0259 |
|
PA 0 0 .75349 .943 .0112 |
|
PA' 0 0 .7305 .057 .001 |
|
OIA' 0 0 .6889 .130 .049 |
|
OIIA' -.02053 .12951 .74144 .0172 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Whitlockite |
|
Hughes J M, Jolliff B L, Rakovan J |
| |
American Mineralogist 93 (2008) 1300-1305 |
|
The crystal chemistry of whitlockite and merrillite and the |
|
dehydrogenation of whitlockite to merrillite |
|
Locality: synthetic |
|
Note: Heated at 500 degrees C |
|
_database_code_amcsd 0004625 |
|
10.3597 10.3597 37.161 90 90 120 R3c |
|
atom x y z occ Uiso |
|
CaIIB1 .28105 .14678 .56529 .01021 |
|
CaIIB2 .38763 .18007 .76769 .01061 |
|
CaIB .29466 .15765 .67217 .02021 |
|
CaIIA' 0 0 .794 .036 .09 |
|
Mg 0 0 0 .916 .0080 |
|
Fe 0 0 0 .084 .0080 |
|
PB1 .31784 .14377 .86430 .00866 |
|
PB2 .35111 .15826 .96727 .00865 |
|
OIB1 .27761 .09418 .82513 .0180 |
|
OIIB1 .24689 .23367 .87760 .0143 |
|
OIIB3 .27196 .00130 .88626 .0116 |
|
OIIB5 .48942 .24224 .86896 .0146 |
|
OIIB2 .39968 .04875 .95375 .0139 |
|
OIIB4 .41539 .30422 .94649 .0157 |
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OIIB6 .17993 .07962 .96367 .0129 |
|
OIB2 .40458 .19726 .00667 .0149 |
|
OHIA 0 0 .79602 .831 .0261 |
|
PA 0 0 .75359 .926 .0111 |
|
PA' 0 0 .7308 .074 .002 |
|
OIA' 0 0 .6889 .169 .048 |
|
OIIA' -.0200 .1305 .74108 .76 .0105 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Merrillite |
| |
Hughes J M, Jolliff B L, Rakovan J |
| |
American Mineralogist 93 (2008) 1300-1305 |
|
The crystal chemistry of whitlockite and merrillite and the |
|
dehydrogenation of whitlockite to merrillite |
|
Locality: synthetic |
|
Note: Formed through dehydrogenation of synthetic whitlockite |
|
by heating at 1050 degrees C for 24 hours |
|
_database_code_amcsd 0004626 |
|
10.3499 10.3499 37.115 90 90 120 R3c |
|
atom x y z occ Uiso |
|
CaIIB1 .27347 .14232 .56805 .00999 |
|
CaIIB2 .38364 .17687 .76923 .01083 |
|
CaIB .27226 .14701 .67506 .01981 |
|
CaIIA' 0 0 .81260 .443 .0147 |
|
Mg 0 0 0 .935 .0086 |
|
Fe 0 0 0 .065 .0086 |
|
PB1 .31343 .13900 .86563 .00944 |
|
PB2 .34384 .15160 .96931 .00837 |
|
OIB1 .26151 .08320 .82711 .0210 |
|
OIIB1 .24269 .22849 .87966 .0182 |
|
OIIB3 .27624 -.00043 .88827 .0114 |
|
OIIB5 .48536 .24023 .86822 .0148 |
|
OIIB2 .39666 .04391 .95679 .0140 |
|
OIIB4 .41985 .30068 .94937 .0163 |
|
OIIB6 .17435 .07693 .96245 .0112 |
|
OIB2 .37816 .18167 .00954 .0130 |
|
PA' 0 0 .73451 .964 .0092 |
|
OIA' 0 0 .69336 .0169 |
|
OIIA' -.00408 .13809 .74822 .0224 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Luo Y, Hughes J M, Rakovan J, Pan Y |
| |
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: UFAP |
|
_database_code_amcsd 0004837 |
|
9.3709 9.3709 6.8849 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 2/3 1/3 .00103 .999 .0106 .0121 .0121 .0074 .0060 0 0 |
|
Ca2 .75983 .00774 1/4 .986 .0095 .0113 .0091 .0087 .0054 0 0 |
|
U2 .75983 .00774 1/4 .014 .0095 .0113 .0091 .0087 .0054 0 0 |
|
P .60199 .63110 1/4 .0069 .0074 .0065 .0070 .0037 0 0 |
|
O1 .6747 .5161 1/4 .0116 .0144 .0110 .0130 .0092 0 0 |
|
O2 .41220 .53290 1/4 .0132 .0081 .0103 .0198 .0034 0 0 |
|
O3 .65863 .74315 .0706 .0153 .0250 .0137 .0105 .0120 .0077 .0046 |
|
F 0 0 1/4 .0220 .0125 .0125 .0409 .0063 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chlorapatite |
|
Luo Y, Hughes J M, Rakovan J, Pan Y |
| |
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: UClAP |
|
_database_code_amcsd 0004838 |
|
9.6233 9.6233 6.7784 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 2/3 1/3 -.00328 .994 .0142 .0168 .0168 .0092 .0084 0 0 |
|
U1 2/3 1/3 -.00328 .006 .0142 .0168 .0168 .0092 .0084 0 0 |
|
Ca2 .26006 .00142 1/4 .993 .0148 .0150 .0172 .0113 .0072 0 0 |
|
U2 .26006 .00142 1/4 .007 .0148 .0150 .0172 .0113 .0072 0 0 |
|
P .40541 .37322 1/4 .0096 .0107 .0094 .0096 .0056 0 0 |
|
O1 .34064 .49039 1/4 .0176 .0270 .0186 .0154 .0175 0 0 |
|
O2 .59083 .46428 1/4 .0188 .0116 .0141 .0293 .0053 0 0 |
|
O3 .35241 .26521 .06722 .0261 .0433 .0225 .0219 .0235 -.0188 -.0123 |
|
Cl 0 0 .05959 .0681 .0220 .0220 .1623 .0110 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Luo Y, Hughes J M, Rakovan J, Pan Y |
| |
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: ThFAP |
|
_database_code_amcsd 0004839 |
|
9.375 9.375 6.883 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 2/3 1/3 .00107 .999 .0107 .0123 .0123 .0075 .0061 0 0 |
|
Ca2 .75984 .00764 1/4 .987 .0097 .0115 .0092 .0089 .0054 0 0 |
|
Th2 .75984 .00764 1/4 .013 .0097 .0115 .0092 .0089 .0054 0 0 |
|
P .60179 .63095 1/4 .0070 .0074 .0066 .0075 .0038 0 0 |
|
O1 .6743 .51573 1/4 .0115 .0144 .0109 .0126 .0090 0 0 |
|
O2 .41194 .53296 1/4 .0132 .0075 .0098 .0207 .0032 0 0 |
|
O3 .65868 .74320 .07044 .0154 .0246 .0138 .0111 .0121 .0071 .0042 |
|
F 0 0 1/4 .0220 .0119 .0119 .0422 0 0 .0060 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chlorapatite |
|
Luo Y, Hughes J M, Rakovan J, Pan Y |
| |
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: ThClAP |
|
_database_code_amcsd 0004840 |
|
9.6330 9.6330 6.7834 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 2/3 1/3 -.00277 .977 .0140 .0164 .0164 .0093 .0082 0 0 |
|
Th1 2/3 1/3 -.00277 .023 .0140 .0164 .0164 .0093 .0082 0 0 |
|
Ca2 .99953 .25834 1/4 .979 .0153 .0173 .0175 .0104 .0082 0 0 |
|
Th2 .99953 .25834 1/4 .021 .0153 .0173 .0175 .0104 .0082 0 0 |
|
P .40536 .37319 1/4 .0089 .0102 .0086 .0088 .0055 0 0 |
|
O1 .34060 .49060 1/4 .0172 .0261 .0179 .0151 .0167 0 0 |
|
O2 .5913 .4642 1/4 .0179 .0110 .0135 .0284 .0055 0 0 |
|
O3 .3523 .2651 .0671 .0256 .0430 .0223 .0213 .0237 -.0192 -.0122 |
|
Cl 0 0 -.5594 .0689 .0213 .0213 .1641 .0106 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Stronadelphite |
| |
Luo Y, Hughes J M, Rakovan J, Pan Y |
| |
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: ThSrFAP |
|
_database_code_amcsd 0004841 |
|
9.7038 9.7038 7.2723 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sr1 2/3 1/3 -.00033 .993 .0094 .0110 .0110 .0060 .0055 0 0 |
|
Th1 2/3 1/3 -.00033 .007 .0094 .0110 .0110 .0060 .0055 0 0 |
|
Sr2 .76004 .01439 1/4 .993 .0084 .0092 .0079 .0083 .0045 0 0 |
|
Th2 .76004 .01438 1/4 .007 .0084 .0092 .0079 .0083 .0045 0 0 |
|
P .60041 .63115 1/4 .0071 .0083 .0067 .0070 .0043 0 0 |
|
O1 .6698 .5189 1/4 .0120 .0158 .0108 .0125 .0090 0 0 |
|
O2 .4177 .5360 1/4 .0129 .0089 .0123 .0155 .0037 0 0 |
|
O3 .6562 .7389 .0788 .0145 .0221 .0131 .0096 .0098 .0059 .0033 |
|
F 0 0 1/4 .0267 .0129 .0129 .0546 .0065 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
Luo Y, Hughes J M, Rakovan J, Pan Y |
| |
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: UFAP |
|
_database_code_amcsd 0004842 |
|
9.3709 9.3709 6.8849 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 2/3 1/3 .00103 .999 .0106 .0121 .0121 .0074 .0060 0 0 |
|
Ca2 .75983 .00774 1/4 .986 .0095 .0113 .0091 .0087 .0054 0 0 |
|
U2 .75983 .00774 1/4 .014 .0095 .0113 .0091 .0087 .0054 0 0 |
|
P .60199 .63110 1/4 .0069 .0074 .0065 .0070 .0037 0 0 |
|
O1 .6747 .5161 1/4 .0116 .0144 .0110 .0130 .0092 0 0 |
|
O2 .41220 .53290 1/4 .0132 .0081 .0103 .0198 .0034 0 0 |
|
O3 .65863 .74315 .0706 .0153 .0250 .0137 .0105 .0120 .0077 .0046 |
|
F 0 0 1/4 .0220 .0125 .0125 .0409 .0063 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaCl) |
|
Luo Y, Hughes J M, Rakovan J, Pan Y |
| |
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: UClAP |
|
_database_code_amcsd 0004843 |
|
9.6233 9.6233 6.7784 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 2/3 1/3 -.00328 .994 .0142 .0168 .0168 .0092 .0084 0 0 |
|
U1 2/3 1/3 -.00328 .006 .0142 .0168 .0168 .0092 .0084 0 0 |
|
Ca2 .26006 .00142 1/4 .993 .0148 .0150 .0172 .0113 .0072 0 0 |
|
U2 .26006 .00142 1/4 .007 .0148 .0150 .0172 .0113 .0072 0 0 |
|
P .40541 .37322 1/4 .0096 .0107 .0094 .0096 .0056 0 0 |
|
O1 .34064 .49039 1/4 .0176 .0270 .0186 .0154 .0175 0 0 |
|
O2 .59083 .46428 1/4 .0188 .0116 .0141 .0293 .0053 0 0 |
|
O3 .35241 .26521 .06722 .0261 .0433 .0225 .0219 .0235 -.0188 -.0123 |
|
Cl 0 0 .05959 .0681 .0220 .0220 .1623 .0110 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
Luo Y, Hughes J M, Rakovan J, Pan Y |
| |
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: ThFAP |
|
_database_code_amcsd 0004844 |
|
9.375 9.375 6.883 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 2/3 1/3 .00107 .999 .0107 .0123 .0123 .0075 .0061 0 0 |
|
Ca2 .75984 .00764 1/4 .987 .0097 .0115 .0092 .0089 .0054 0 0 |
|
Th2 .75984 .00764 1/4 .013 .0097 .0115 .0092 .0089 .0054 0 0 |
|
P .60179 .63095 1/4 .0070 .0074 .0066 .0075 .0038 0 0 |
|
O1 .6743 .51573 1/4 .0115 .0144 .0109 .0126 .0090 0 0 |
|
O2 .41194 .53296 1/4 .0132 .0075 .0098 .0207 .0032 0 0 |
|
O3 .65868 .74320 .07044 .0154 .0246 .0138 .0111 .0121 .0071 .0042 |
|
F 0 0 1/4 .0220 .0119 .0119 .0422 0 0 .0060 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaCl) |
|
Luo Y, Hughes J M, Rakovan J, Pan Y |
| |
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: ThClAP |
|
_database_code_amcsd 0004845 |
|
9.6330 9.6330 6.7834 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 2/3 1/3 -.00277 .977 .0140 .0164 .0164 .0093 .0082 0 0 |
|
Th1 2/3 1/3 -.00277 .023 .0140 .0164 .0164 .0093 .0082 0 0 |
|
Ca2 .99953 .25834 1/4 .979 .0153 .0173 .0175 .0104 .0082 0 0 |
|
Th2 .99953 .25834 1/4 .021 .0153 .0173 .0175 .0104 .0082 0 0 |
|
P .40536 .37319 1/4 .0089 .0102 .0086 .0088 .0055 0 0 |
|
O1 .34060 .49060 1/4 .0172 .0261 .0179 .0151 .0167 0 0 |
|
O2 .5913 .4642 1/4 .0179 .0110 .0135 .0284 .0055 0 0 |
|
O3 .3523 .2651 .0671 .0256 .0430 .0223 .0213 .0237 -.0192 -.0122 |
|
Cl 0 0 -.5594 .0689 .0213 .0213 .1641 .0106 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(SrF) |
| |
Luo Y, Hughes J M, Rakovan J, Pan Y |
| |
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: ThSrFAP |
|
_database_code_amcsd 0004846 |
|
9.7038 9.7038 7.2723 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sr1 2/3 1/3 -.00033 .993 .0094 .0110 .0110 .0060 .0055 0 0 |
|
Th1 2/3 1/3 -.00033 .007 .0094 .0110 .0110 .0060 .0055 0 0 |
|
Sr2 .76004 .01439 1/4 .993 .0084 .0092 .0079 .0083 .0045 0 0 |
|
Th2 .76004 .01438 1/4 .007 .0084 .0092 .0079 .0083 .0045 0 0 |
|
P .60041 .63115 1/4 .0071 .0083 .0067 .0070 .0043 0 0 |
|
O1 .6698 .5189 1/4 .0120 .0158 .0108 .0125 .0090 0 0 |
|
O2 .4177 .5360 1/4 .0129 .0089 .0123 .0155 .0037 0 0 |
|
O3 .6562 .7389 .0788 .0145 .0221 .0131 .0096 .0098 .0059 .0033 |
|
F 0 0 1/4 .0267 .0129 .0129 .0546 .0065 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(SrCl) |
| |
Luo Y, Hughes J M, Rakovan J, Pan Y |
| |
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: ThSrClAP |
|
_database_code_amcsd 0004847 |
|
9.8562 9.8562 7.2095 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sr1 2/3 1/3 .00078 .985 .0113 .0127 .0127 .0085 .0064 0 0 |
|
Th1 2/3 1/3 .00078 .015 .0113 .0127 .0127 .0085 .0064 0 0 |
|
Sr2 .26043 .01125 1/4 .990 .0108 .0115 .0118 .0095 .0060 0 0 |
|
Th2 .26043 .01125 1/4 .010 .0108 .0115 .0118 .0095 .0060 0 0 |
|
P .37108 .40395 1/4 .0077 .0077 .0093 .0071 .0050 0 0 |
|
O1 .4811 .3349 1/4 .0135 .0152 .0178 .0121 .0116 0 0 |
|
O2 .4662 .5847 1/4 .0174 .0125 .0101 .0284 .0047 0 0 |
|
O3 .2665 .3540 .0768 .0208 .0185 .0354 .0141 .0176 -.0071 -.0116 |
|
Cl 0 0 0 .0247 .0199 .0199 .0344 .0100 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Rakovan J F, Hughes J M |
|
The Canadian Mineralogist 38 (2000) 839-845 |
|
Strontium in the apatite structure: Strontian fluorapatite and belovite-(Ce) |
|
_database_code_amcsd 0005688 |
|
9.416 9.416 6.924 90 90 120 P6_3/m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca(1) 2/3 1/3 .0004 .9741 .842 .00341 .00341 .0037 .001705 0 0 |
|
Sr(1) 2/3 1/3 .0004 .0259 .842 .00341 .00341 .0037 .001705 0 0 |
|
Ca(2) .24967 .01007 1/4 .8229 .912 .00310 .00331 .00448 .001125 0 0 |
|
Sr(2) .24967 .01007 1/4 .1771 .912 .00310 .00331 .00448 .001125 0 0 |
|
P .02937 .63066 1/4 .66 .00208 .00230 .0041 .000905 0 0 |
|
O(1) .4849 .3278 1/4 1.16 .0044 .0053 .0068 .00355 0 0 |
|
O(2) .4129 .8794 1/4 1.30 .0027 .0037 .0111 .0014 0 0 |
|
O(3) .0836 .7422 .0721 1.50 .0053 .0043 .0061 .0004 -.00095 .0019 |
|
F 0 0 1/4 2.68 .0063 .0063 .025 .00315 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
Rakovan J F, Hughes J M |
|
The Canadian Mineralogist 38 (2000) 839-845 |
|
Strontium in the apatite structure: Strontian fluorapatite and belovite-(Ce) |
|
_database_code_amcsd 0005689 |
|
9.416 9.416 6.924 90 90 120 P6_3/m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca(1) 2/3 1/3 .0004 .9741 .842 .00341 .00341 .0037 .001705 0 0 |
|
Sr(1) 2/3 1/3 .0004 .0259 .842 .00341 .00341 .0037 .001705 0 0 |
|
Ca(2) .24967 .01007 1/4 .8229 .912 .00310 .00331 .00448 .001125 0 0 |
|
Sr(2) .24967 .01007 1/4 .1771 .912 .00310 .00331 .00448 .001125 0 0 |
|
P .02937 .63066 1/4 .66 .00208 .00230 .0041 .000905 0 0 |
|
O(1) .4849 .3278 1/4 1.16 .0044 .0053 .0068 .00355 0 0 |
|
O(2) .4129 .8794 1/4 1.30 .0027 .0037 .0111 .0014 0 0 |
|
O(3) .0836 .7422 .0721 1.50 .0053 .0043 .0061 .0004 -.00095 .0019 |
|
F 0 0 1/4 2.68 .0063 .0063 .025 .00315 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Belovite-(Ce) |
|
Rakovan J F, Hughes J M |
|
The Canadian Mineralogist 38 (2000) 839-845 |
|
Strontium in the apatite structure: Strontian fluorapatite and belovite-(Ce) |
|
_database_code_amcsd 0005690 |
|
9.659 9.659 7.182 90 90 120 P-3 |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ce 1/3 2/3 .48227 .9167 .767 .00260 .00260 .00409 .00130 0 0 |
|
Na 1/3 2/3 .9881 1.502 .88 .0035 .0035 .0032 .00175 0 0 |
|
Sr .23726 -.01866 .75818 1.012 1.065 .00455 .00329 .00437 .00170 .00009 -.000385 |
|
P .5970 -.3730 .2534 .79 .00324 .0028 .0037 .00175 -.0001 -.00025 |
|
O(1) .1501 -.3415 .7299 1.40 .0030 .0073 .0060 .00245 .0005 .00055 |
|
O(2) .8764 .4157 .7756 1.45 .0042 .0035 .0100 .00155 -.0002 .0009 |
|
O(3) .7274 .0981 .5656 1.56 .0062 .0055 .0052 .00215 .00205 .00105 |
|
O(4) .3132 .2558 .9018 2.04 .0117 .0049 .0068 .0040 .0049 .0021 |
|
F 0 0 .289 3.2 .0052 .0052 .032 .0013 0 0 |
|
Cl 0 0 1/2 .021 2.68 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dickthomssenite |
|
Hughes J M, Cureton F E, Marty J, Gault R A, Gunter M E, |
|
Campana C F, Rakovan J F, Sommer A J, Brueseke M E |
|
The Canadian Mineralogist 39 (2001) 1691-1700 |
|
Dickthomssenite, Mg(V2O6).7H2O, a new mineral species from the Firefly-Pigmay mine, Utah: |
|
Descriptive mineralogy and arrangement of atoms |
|
Locality: Firefly-Pigmay mine, Utah, USA |
|
_database_code_amcsd 0005758 |
|
38.954 7.2010 16.3465 90 97.602 90 C2/c |
|
atom x y z Uiso |
|
V1 .1506 .1163 .2101 .008 |
|
V2 .0991 .3673 .2912 .009 |
|
V3 .1518 .6170 .2117 .009 |
|
V4 .0987 .8661 .2904 .009 |
|
Mg1 .1255 .6238 .0018 .019 |
|
Mg2 0 1/2 0 .021 |
|
Mg3 3/4 3/4 1/2 .022 |
|
O1 .1132 .1176 .2833 .020 |
|
O2 .1364 .3688 .2184 .019 |
|
O3 .1157 .6180 .2906 .016 |
|
O4 .1346 .8663 .2117 .016 |
|
O5 .1895 .1120 .2605 .023 |
|
O6 .1547 .1253 .1095 .018 |
|
O7 .0607 .3744 .2388 .022 |
|
O8 .0930 .6350 -.1086 .015 |
|
O9 .1896 .6249 .2653 .023 |
|
O10 .1581 .6154 .1119 .015 |
|
O11 .0604 .8582 .2377 .024 |
|
O12 .0937 .8754 .3903 .022 |
|
Ow13 .1435 .8942 -.0206 .026 |
|
H13A .1250 .9576 -.0237 .031 |
|
H13B .1553 .9412 .0218 .031 |
|
Ow14 .0900 .7474 .0675 .036 |
|
H14A .0964 .7313 .1188 .044 |
|
H14B .0847 .8543 .0477 .044 |
|
Ow15 .1062 .3563 .0191 .025 |
|
H15A .1113 .2898 -.0205 .029 |
|
H15B .0954 .2869 .0492 .029 |
|
Ow16 .1607 .4948 -.0646 .038 |
|
H16A .1621 .5505 -.1098 .045 |
|
H16B .1807 .4920 -.0367 .045 |
|
Ow17 -.0264 .5035 .0997 .025 |
|
H17A -.0332 .6136 .1072 .030 |
|
H17B -.0131 .4663 .1420 .030 |
|
Ow18 .0416 .3922 .0715 .040 |
|
H18A .0352 .2958 .0953 .048 |
|
H18B .0572 .3634 .0421 .048 |
|
Ow19 -.0188 .2306 -.0267 .030 |
|
H19A -.0056 .1600 .0052 .036 |
|
H19B -.0332 .1581 -.0542 .036 |
|
Ow20 .7762 .7523 .4015 .028 |
|
H20A .7723 .6677 .3652 .034 |
|
H20B .7803 .8633 .3878 .034 |
|
Ow21 .7918 .8566 .5734 .039 |
|
H21A .7966 .9656 .5586 .046 |
|
H21B .8097 .7911 .5697 .046 |
|
Ow22 .7680 .4802 .5271 .030 |
|
H22A .7561 .4064 .4941 .036 |
|
H22B .7829 .4102 .5546 .036 |
|
Ow23 .7503 .4161 .2475 .024 |
|
H23A .7684 .4801 .2440 .029 |
|
H23B .7425 .3657 .2018 .029 |
|
Ow24 .7748 .2516 .3974 .030 |
|
H24A .7614 .1811 .4204 .036 |
|
H24B .7956 .2169 .3965 .036 |
|
Ow25 .9755 .0019 .6015 .028 |
|
H25A .9547 .0393 .6005 .034 |
|
H25B .9887 .0726 .5782 .034 |
|
Ow26 0 .3382 3/4 .026 |
|
H26 .9814 .3070 .7682 .031 |
|
Ow27 0 .8307 3/4 .030 |
|
H27 .9926 .8833 .7045 .036 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hummerite |
|
Hughes J M, Schindler M, Rakovan J F, Cureton F E |
|
The Canadian Mineralogist 40 (2002) 1429-1435 |
|
The crystal structure of hummerite, K Mg(V5O14).8H2O: |
|
Bonding between the [V10O28] structural units and the |
|
{K2Mg2(H2O)16} interstitial complex |
|
_database_code_amcsd 0005792 |
|
8.8178 10.7236 11.0707 65.789 74.057 71.853 P-1 |
|
atom x y z Uiso |
|
V1 .67554 .50637 .51942 .01666 |
|
V2 .38822 .77792 .45258 .01881 |
|
V3 .35314 .54862 .73003 .01796 |
|
V4 .69385 .73938 .24167 .02152 |
|
V5 .63029 .27648 .79897 .02128 |
|
OV1 .2994 .89304 .52256 .0265 |
|
OV2 .2848 .83219 .31048 .0222 |
|
OV3 .5243 .64321 .59189 .0173 |
|
OV4 .7659 .40873 .65734 .0212 |
|
OV5 .7965 .61357 .41051 .0215 |
|
OV6 .51599 .59950 .37888 .0174 |
|
OV7 .2619 .66643 .79624 .0262 |
|
OV8 .2222 .42672 .80217 .0217 |
|
OV9 .5080 .43901 .83715 .0207 |
|
OV10 .5677 .84241 .34664 .0215 |
|
OV11 .4542 .19578 .87099 .0235 |
|
OV12 .8291 .8273 .1546 .03200 |
|
OV13 .7389 .36696 .43906 .0182 |
|
OV14 .7376 .1985 .9158 .0328 |
|
K .32958 .90849 .78152 .03728 |
|
Mg .78293 .73370 .78507 .02159 |
|
OI1 .9105 .5704 .7195 .0478 |
|
HI1A .878 .526 .698 .039 |
|
HI1B .992 .550 .731 .061 |
|
OI2 .6407 .8942 .8556 .0286 |
|
HI2A .646 .963 .820 .050 |
|
HI2B .623 .874 .932 .034 |
|
OI3 .0601 1.1546 .5971 .0529 |
|
HI3A -.016 1.148 .622 .12 |
|
HI3B .087 1.225 .583 .09 |
|
OI4 .0027 .9361 .8764 .0489 |
|
HI4A -.020 .893 .945 .16 |
|
H14B .001 1.004 .856 .23 |
|
OI5 .9203 .6579 .9340 .0326 |
|
HI5A .896 .628 1.003 .057 |
|
HI5B 1.012 .652 .934 .087 |
|
OI6 .6492 .8212 .6308 .0306 |
|
HI6A .622 .773 .608 .032 |
|
HI6B .673 .866 .571 .074 |
|
OI7 .6060 .6259 .8963 .0333 |
|
HI7A .592 .567 .874 .032 |
|
HI7B .583 .606 .973 .040 |
|
OI8 .9457 .8538 .6639 .0422 |
|
HI8A 1.009 .857 .686 .10 |
|
HI8B .954 .868 .599 .17 |
|
|
| 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 |
|
Note: sample Trip06 |
|
Locality: Bennett Quarry, Buckfield, Maine |
|
_database_code_amcsd 0005976 |
|
4.7383 10.429 6.0923 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Li 0 0 0 1.7 |
|
Mn .97154 .28163 .25 .933 .580 |
|
Fe .97154 .28163 .25 .062 .580 |
|
P .4091 .09238 .25 .52 |
|
O1 .7310 .0966 .25 .85 |
|
O2 .2115 .4558 .25 .78 |
|
O3 .2770 .1617 .0494 .79 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
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 |
|
Sample: Trip27 |
|
Locality: Fillow Quarry, Branchville, Connecticut |
|
_database_code_amcsd 0005977 |
|
4.7247 10.4084 6.0705 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Li 0 0 0 1.59 |
|
Mn .97253 .28183 .25 .704 .558 |
|
Fe .97253 .28183 .25 .265 .558 |
|
P .4113 .09309 .25 .560 |
|
O1 .7343 .0968 .25 .85 |
|
O2 .2104 .4559 .25 .86 |
|
O3 .2787 .1625 .0487 .86 |
|
|
| Download AMC data (View Text File)
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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: Trip50 |
|
Locality: BB#7 Quarry, Norway, Maine |
|
_database_code_amcsd 0005978 |
|
4.7138 10.3826 6.0499 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Li 0 0 0 1.50 |
|
Mn .97362 .28199 .25 .497 .594 |
|
Fe .97362 .28199 .25 .503 .594 |
|
P .4138 .09364 .25 .65 |
|
O1 .7366 .0969 .25 .94 |
|
O2 .2089 .4562 .25 .92 |
|
O3 .2813 .1635 .0478 .97 |
|
|
| Download AMC data (View Text File)
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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 |
|
Locality: Palermo #1 Quarry, Groton, New Hampshire |
|
_database_code_amcsd 0005979 |
|
4.7006 10.341 6.0166 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Li 0 0 0 .78 |
|
Mn .97463 .28200 .25 .201 .592 |
|
Mg .97463 .28200 .25 .056 .592 |
|
Fe .97463 .28200 .25 .753 .592 |
|
P .4164 .09448 .25 .419 |
|
O1 .7402 .0970 .25 .73 |
|
O2 .2062 .4570 .25 .65 |
|
O3 .2836 .1649 .0472 .69 |
|
|
| Download AMC data (View Text File)
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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 |
|
Locality: G.E. Smith Quarry, Newport, New Hampshire |
|
_database_code_amcsd 0005980 |
|
4.6904 10.2855 5.9871 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Li 0 0 0 1.55 |
|
Mn .9746 .28164 .25 .089 .593 |
|
Mg .9746 .28164 .25 .234 .593 |
|
Fe .9746 .28164 .25 .687 .593 |
|
P .4169 .09476 .25 .59 |
|
O1 .7412 .0983 .25 .83 |
|
O2 .2055 .4560 .25 .81 |
|
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: |
|
Simultaneous accommodation of Ca, Sr, Na, LREE in the apatite atomic arrangement |
|
Sample: Mt. Selsurt, Lovozero, Russia |
|
_database_code_amcsd 0006014 |
|
9.4456 9.4456 6.9520 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Ca1 2/3 1/3 .0000 .480 .0147 |
|
Sr1 2/3 1/3 .0000 .115 .0147 |
|
Na1 2/3 1/3 .0000 .290 .0147 |
|
Ce1 2/3 1/3 .0000 .110 .0147 |
|
La1 2/3 1/3 .0000 .005 .0147 |
|
Ca1' 2/3 1/3 .5013 .575 .0114 |
|
Na1' 2/3 1/3 .5013 .295 .0114 |
|
Ce1' 2/3 1/3 .5013 .110 .0114 |
|
Nd1' 2/3 1/3 .5013 .020 .0114 |
|
Sr2 .76156 .01185 .25 .492 .01133 |
|
Ca2 .76156 .01185 .25 .465 .01133 |
|
La2 .76156 .01185 .25 .043 .01133 |
|
P .60116 -.36970 .2522 .00992 |
|
O1 .84353 .32851 .2549 .0167 |
|
O2 .41362 -.46562 .2537 .0197 |
|
O3 .6532 -.2591 .0736 .0206 |
|
O3' .6651 -.2573 .4271 .0244 |
|
F 0 0 .248 .958 .0372 |
|
OH 0 0 .248 .042 .0372 |
|
|
| 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: |
|
Simultaneous accommodation of Ca, Sr, Na, LREE in the apatite atomic arrangement |
|
Sample: Mt. Koashva, Khibina complex, Kola Peninsula, northwestern Russia |
|
_database_code_amcsd 0006015 |
|
9.4853 9.4853 6.9862 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Ca1 2/3 1/3 -.0017 .585 .0148 |
|
Sr1 2/3 1/3 -.0017 .210 .0148 |
|
Na1 2/3 1/3 -.0017 .195 .0148 |
|
La1 2/3 1/3 -.0017 .010 .0148 |
|
Ca1' 2/3 1/3 .5013 .880 .0124 |
|
Ce1' 2/3 1/3 .5013 .065 .0124 |
|
Nd1' 2/3 1/3 .5013 .015 .0124 |
|
Pr1' 2/3 1/3 .5013 .040 .0124 |
|
Sr2 .76099 .01279 .25 .278 .01182 |
|
Ca2 .76099 .01279 .25 .610 .01182 |
|
La2 .76099 .01279 .25 .055 .01182 |
|
Ce2 .76099 .01279 .25 .040 .01182 |
|
Nd2 .76099 .01279 .25 .017 .01182 |
|
P .60118 -.36967 .2522 .0102 |
|
O1 .8441 .3286 .2561 .0176 |
|
O2 .4143 -.4654 .2493 .0221 |
|
O3 .6518 -.2608 .0726 .020 |
|
O3' .6665 -.2556 .4250 .030 |
|
F 0 0 .246 .749 .052 |
|
OH 0 0 .246 .251 .052 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoropargasite |
| |
Lupulescu M V, Rakovan J, Robinson G W, Hughes J M |
|
The Canadian Mineralogist 43 (2005) 1423-1428 |
|
Fluoropargasite, a new member of the calcic amphiboles |
|
from Edenville, Orange County, New York |
|
Locality: Edenville, Orange County, New York |
|
_database_code_amcsd 0006056 |
|
9.8771 18.041 5.3092 90 105.133 90 C2/m |
|
atom x y z occ Uiso |
|
NaAm .0329 .5 .0688 .255 .054 |
|
KAm .0329 .5 .0688 .08 .054 |
|
NaA2 0 .4676 0 .07 .037 |
|
KA2 0 .4676 0 .025 .037 |
|
CaM4 0 .279378 .5 .91 .01166 |
|
NaM4 0 .279378 .5 .09 .01166 |
|
MgM1 0 .08951 .5 .765 .00791 |
|
Fe2+M1 0 .08951 .5 .22 .00791 |
|
AlM1 0 .08951 .5 .015 .00791 |
|
MgM2 .5 .32327 0 .495 .00577 |
|
AlM2 .5 .32327 0 .27 .00577 |
|
Fe2+M2 .5 .32327 0 .19 .00577 |
|
TiM2 .5 .32327 0 .045 .00577 |
|
MgM3 0 0 0 .74 .0070 |
|
Fe2+M3 0 0 0 .22 .0070 |
|
AlM3 0 0 0 .04 .0070 |
|
SiT1 .28066 .085211 .30201 .683 .00819 |
|
AlT1 .28066 .085211 .30201 .317 .00819 |
|
SiT2 .29052 .172862 .81172 .925 .00756 |
|
AlT2 .29052 .172862 .81172 .075 .00756 |
|
O1 .10707 .08767 .21646 .01377 |
|
O2 .11970 .17310 .73188 .01299 |
|
F3 .10777 0 .7140 .63 .0169 |
|
O3 .10777 0 .7140 .355 .0169 |
|
Cl3 .10777 0 .7140 .015 .0169 |
|
O4 .36635 .25019 .79072 .01483 |
|
O5 .35008 .13885 .10838 .0157 |
|
O6 .34495 .11789 .60614 .0155 |
|
O7 .34131 0 .2834 .0179 |
|
H3 .191 0 .755 .000 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Lasalite |
| |
Hughes J M, Wise W S, Gunter M E, Morton J P, Rakovan J |
| |
The Canadian Mineralogist 46 (2008) 1365-1372 |
|
Lasalite, Na2Mg2[V10O28]*20H2O, a new decavanadate mineral species from the |
|
Vanadium Queen mine, La Sal District, Utah: Description, atomic arrangement, |
|
and relationship to the pascoite group of minerals |
|
Locality: Vanadium Queen mine, La Sal District, Utah |
|
_database_code_amcsd 0006198 |
|
23.9019 10.9993 17.0504 90 118.284 90 C2/c |
|
atom x y z Uiso |
|
Na .19432 -.17951 .03761 .0497 |
|
Mg .11242 .59615 .59125 .01950 |
|
V1 .011823 .08649 .852530 .01374 |
|
V2 -.072825 -.11481 .714987 .01598 |
|
V3 .071806 .29236 .783156 .01658 |
|
V4 .132628 .08738 .719361 .01731 |
|
V5 .155643 .09083 .911954 .01845 |
|
O1 -.04289 .08873 .88829 .0184 |
|
O2 .08380 .08685 .94487 .0185 |
|
O3 -.00967 -.08342 .67228 .0151 |
|
O4 .00969 .25823 .82766 .0153 |
|
O5 -.06272 .08728 .72167 .0145 |
|
O6 -.07332 -.26098 .71410 .0258 |
|
O7 -.13774 -.07787 .60724 .0196 |
|
O8 -.11641 -.07713 .77623 .0188 |
|
O9 .13689 .25559 .89341 .0199 |
|
O10 .11612 .25431 .72347 .0187 |
|
O11 .17222 .08862 .66527 .0258 |
|
O12 .19171 .08930 .83800 .0203 |
|
O13 .07163 .43782 .78232 .0271 |
|
O14 .21463 .08846 .01063 .0295 |
|
O15 .11247 .40968 .59659 .0280 |
|
O16 .04133 .40772 .96382 .0277 |
|
O17 .17730 .59206 .54119 .0267 |
|
O18 .17826 .59226 .72130 .0342 |
|
O19 .03719 .60329 .62597 .0299 |
|
O20 .11564 .21806 .09537 .0359 |
|
O21 .26202 -.29234 .16608 .0428 |
|
O22 -.05898 -.21698 .52068 .0446 |
|
O23 .18925 -.3592 .95033 .0604 |
|
O24 .23209 .62491 .29829 .0388 |
|
H15A .1126 .373 .634 .050 |
|
H15B .0996 .372 .558 .050 |
|
H16A .0318 .363 .929 .050 |
|
H16B .0213 .461 .941 .050 |
|
H17A .2095 .594 .572 .050 |
|
H17B .1717 .633 .501 .050 |
|
H18A .1941 .643 .750 .050 |
|
H18B .1952 .536 .744 .050 |
|
H19A .0456 .600 .675 .050 |
|
H19B .0188 .657 .607 .050 |
|
H20A .1145 .185 .131 .050 |
|
H20B .1039 .180 .054 .050 |
|
H21A .2853 -.336 .168 .050 |
|
H21B .2538 -.318 .204 .050 |
|
H22A -.0481 -.187 .490 .050 |
|
H22B -.0469 -.181 .562 .050 |
|
H23A .1861 -.429 .968 .050 |
|
H23B .1629 -.357 .912 .050 |
|
H24A .2586 .627 .351 .050 |
|
H24B .2067 .661 .295 .050 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Dravite |
|
Hughes J M, Rakovan J, Ertl A, Rossman G R, Baksheev I, Bernhardt H-J |
| |
The Canadian Mineralogist 49 (2011) 29-40 |
|
Dissymmetrization in tourmaline: the atomic arrangement of sectorally zoned |
|
triclinic Ni-bearing dravite |
|
Locality: Berezovskoe gold deposit, Middle Urals, Russia |
|
_database_code_amcsd 0018457 |
|
15.903 15.9118 7.2304 90.063 89.793 119.742 P1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na1 0 0 .25 .96 .0267 .026 .028 .026 .013 .005 .004 |
|
Sia .8575 .5240 .3510 .0047 .0037 .0046 .0053 .0016 .0009 .0011 |
|
Sib .6633 .5231 .3490 .0050 .0051 .0047 .0057 .0030 .0010 .0004 |
|
Sic .4768 .3355 .3508 .0052 .0043 .0049 .0064 .0024 .0015 .0012 |
|
Sid .8564 .3355 .3542 .0049 .0046 .0052 .0056 .0029 .0002 .0017 |
|
Sie .6634 .1423 .3543 .0048 .0039 .0051 .0057 .0024 .0008 .0020 |
|
Sif .4762 .1422 .3527 .0049 .0044 .0048 .0060 .0028 .0016 .0020 |
|
AlaY .6049 .3939 -.0125 .292 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
|
MgaY .6049 .3939 -.0125 .344 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
|
FeaY .6049 .3939 -.0125 .364 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
|
AlbY .7891 .3944 -.0098 .375 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
MgbY .7891 .3944 -.0098 .344 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
CrbY .7891 .3944 -.0098 .022 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
FebY .7891 .3944 -.0098 .269 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
AlcY .6043 .2097 -.0088 .399 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
MgcY .6043 .2097 -.0088 .098 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
CrcY .6043 .2097 -.0088 .238 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
NicY .6043 .2097 -.0088 .112 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
AlaZ .6305 .7026 .2960 .936 .0034 .0031 .0033 .0036 .0014 .0005 -.0000 |
|
MgaZ .6305 .7026 .2960 .064 .0034 .0031 .0033 .0036 .0014 .0005 -.0000 |
|
AlbZ .9632 .7024 .6287 .801 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
|
MgbZ .9632 .7024 .6287 .166 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
|
NibZ .9632 .7024 .6287 .033 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
|
AlcZ .0715 .7027 .2956 .946 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
|
MgcZ .0715 .7027 .2956 .045 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
|
NicZ .0715 .7027 .2956 .010 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
|
AldZ .7381 .7022 .6284 .387 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
MgdZ .7381 .7022 .6284 .542 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
VdZ .7381 .7022 .6284 .031 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
FedZ .7381 .7022 .6284 .002 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
TidZ .7381 .7022 .6284 .039 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
AleZ .9629 .2613 .6289 .915 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
|
MgeZ .9629 .2613 .6289 .082 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
|
NieZ .9629 .2613 .6289 .003 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
|
AlfZ .9643 .5948 -.0380 .629 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
|
MgfZ .9643 .5948 -.0380 .316 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
|
CrfZ .9643 .5948 -.0380 .055 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
|
B1 .7805 .8905 .4686 .0082 .009 .010 .008 .006 .002 .003 |
|
B2 .7752 .5522 -.1934 .0075 .006 .009 .007 .004 .002 .002 |
|
B3 .1099 .8892 .4754 .0081 .006 .006 .010 .001 .003 .005 |
|
O1a .6653 .3307 .1192 .0127 .013 .014 .013 .008 .001 -.001 |
|
O2a .5448 .2700 -.1586 .0010 .006 .011 .010 .003 .002 .003 |
|
O2b .7259 .2699 -.1543 .0100 .010 .012 .011 .008 .001 .003 |
|
O2c .7278 .4539 -.1604 .0099 .009 .007 .012 .003 .002 -.000 |
|
O3a .5351 .4637 -.1352 .0125 .014 .012 .003 .000 .001 .001 |
|
H3a .529 .453 -.229 .00 |
|
O3b .8763 .7469 .5287 .0148 .017 .026 .005 .013 .001 -.000 |
|
H3b .874 .744 .45 .02 |
|
O3c .9251 .4605 -.1374 .0138 .029 .020 .003 .020 .000 .001 |
|
H3c .926 .460 -.251 .05 |
|
O4a .7604 .5238 .4208 .0100 .005 .016 .011 .007 .001 .000 |
|
O4b .4790 .2406 .4255 .0114 .021 .007 .011 .011 .004 .004 |
|
O4c .7567 .2427 .4238 .0111 .006 .008 .010 -.003 .002 .003 |
|
O5a .5747 .4248 .4424 .0091 .005 .006 .012 -.001 -.003 .003 |
|
O5b .5714 .1463 .4485 .0093 .008 .015 .009 .009 .001 .003 |
|
O5c .8500 .4268 .4448 .0093 .013 .007 .011 .007 .002 .002 |
|
O6a .8593 .5164 .1291 .0110 .014 .015 .007 .009 .000 -.001 |
|
O6b .6548 .5166 .1270 .0098 .011 .011 .006 .004 -.002 -.002 |
|
O6c .6554 .1393 .1324 .0089 .011 .012 .005 .007 -.001 .003 |
|
O6d .8617 .3445 .1315 .007 .009 .009 .004 .005 .002 .003 |
|
O6e .4813 .3429 .1281 .0085 .008 .009 .008 .004 .002 .003 |
|
O6f .4853 .1433 .1326 .0098 .011 .011 .008 .006 .005 .003 |
|
O7a .6611 .6166 .4212 .0102 .014 .008 .011 .007 .002 .001 |
|
O7b .9524 .6191 .4257 .0081 .006 .006 .007 -.001 -.002 -.002 |
|
O7c .6685 .0509 .4318 .0088 .010 .008 .011 .006 .004 .007 |
|
O7d .3797 .0487 .4263 .0072 .005 .007 .009 .003 .002 .002 |
|
O7e .3823 .3351 .4271 .0107 .004 .014 .014 .005 .003 -.001 |
|
O7f .9468 .3308 .4354 .0103 .011 .014 .010 .009 -.003 .001 |
|
O8a .8742 .6019 -.2133 .0123 .007 .012 .020 .006 .006 .006 |
|
O8b .0620 .7907 .4573 .0100 .007 .008 .012 .001 .003 -.003 |
|
O8c .2088 .9398 .4606 .0084 .007 .005 .010 .001 .003 -.001 |
|
O8d .7297 .7924 .4452 .0103 .011 .008 .015 .006 -.004 -.002 |
|
O8e .0652 .6082 .1286 .0100 .011 .007 .014 .006 -.002 -.001 |
|
O8f .0591 .2678 .4669 .0107 .009 .009 .015 .0054 .0032 .0038 |
|
Na1 .3333 .6667 .9167 .96 .0267 .026 .028 .026 .013 .005 .004 |
|
Sia .1908 .1907 .0177 .0047 .0037 .0046 .0053 .0016 .0009 .0011 |
|
Sib .9966 .1898 .0157 .0050 .0051 .0047 .0057 .0030 .0010 .0004 |
|
Sic .8101 .0022 .0175 .0052 .0043 .0049 .0064 .0024 .0015 .0012 |
|
Sid .1897 .0022 .0209 .0049 .0046 .0052 .0056 .0029 .0002 .0017 |
|
Sie .9967 .8090 .0210 .0048 .0039 .0051 .0057 .0024 .0008 .0020 |
|
Sif .8095 .8089 .0194 .0049 .0044 .0048 .0060 .0028 .0016 .0020 |
|
AlaY .9382 .0606 .6542 .292 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
|
MgaY .9382 .0606 .6542 .344 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
|
FeaY .9382 .0606 .6542 .364 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
|
AlbY .1224 .0611 .6569 .375 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
MgbY .1224 .0611 .6569 .344 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
CrbY .1224 .0611 .6569 .022 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
FebY .1224 .0611 .6569 .269 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
AlcY .9376 .8764 .6579 .399 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
MgcY .9376 .8764 .6579 .098 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
CrcY .9376 .8764 .6579 .238 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
NicY .9376 .8764 .6579 .112 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
AlaZ .9638 .3693 .9627 .936 .0034 .0031 .0033 .0036 .0014 .0005 -.0000 |
|
MgaZ .9638 .3693 .9627 .064 .0034 .0031 .0033 .0036 .0014 .0005 -.0000 |
|
AlbZ .2965 .3691 .2954 .801 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
|
MgbZ .2965 .3691 .2954 .166 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
|
NibZ .2965 .3691 .2954 .033 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
|
AlcZ .4048 .3694 .9623 .946 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
|
MgcZ .4048 .3694 .9623 .045 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
|
NicZ .4048 .3694 .9623 .010 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
|
AldZ .0714 .3689 .2951 .387 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
MgdZ .0714 .3689 .2951 .542 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
VdZ .0714 .3689 .2951 .031 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
FedZ .0714 .3689 .2951 .002 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
TidZ .0714 .3689 .2951 .039 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
AleZ .2962 .9280 .2956 .915 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
|
MgeZ .2962 .9280 .2956 .082 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
|
NieZ .2962 .9280 .2956 .003 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
|
AlfZ .2976 .2615 .6287 .629 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
|
MgfZ .2976 .2615 .6287 .316 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
|
CrfZ .2976 .2615 .6287 .055 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
|
B1 .1138 .5572 .1353 .0082 .009 .010 .008 .006 .002 .003 |
|
B2 .1085 .2189 .4733 .0075 .006 .009 .007 .004 .002 .002 |
|
B3 .4432 .5559 .1421 .0081 .006 .006 .010 .001 .003 .005 |
|
O1a .9986 .9974 .7859 .0127 .013 .014 .013 .008 .001 -.001 |
|
O2a .8781 .9367 .5081 .0010 .006 .011 .010 .003 .002 .003 |
|
O2b .0592 .9366 .5124 .0100 .010 .012 .011 .008 .001 .003 |
|
O2c .0611 .1206 .5063 .0099 .009 .007 .012 .003 .002 -.000 |
|
O3a .8684 .1304 .5315 .0125 .014 .012 .003 .000 .001 .001 |
|
H3a .8623 .1197 .4377 .00 |
|
O3b .2096 .4136 .1954 .0148 .017 .026 .005 .013 .001 -.000 |
|
H3b .2073 .4107 .1167 .02 |
|
O3c .2584 .1272 .5293 .0138 .029 .020 .003 .020 .000 .001 |
|
H3c .2593 .1267 .4157 .05 |
|
O4a .0937 .1905 .0875 .0100 .005 .016 .011 .007 .001 .000 |
|
O4b .8123 .9073 .0922 .0114 .021 .007 .011 .011 .004 .004 |
|
O4c .0900 .9094 .0905 .0111 .006 .008 .010 -.003 .002 .003 |
|
O5a .9080 .0915 .1091 .0091 .005 .006 .012 -.001 -.003 .003 |
|
O5b .9047 .8130 .1152 .0093 .008 .015 .009 .009 .001 .003 |
|
O5c .1833 .0935 .1115 .0093 .013 .007 .011 .007 .002 .002 |
|
O6a .1926 .1831 .7958 .0110 .014 .015 .007 .009 .000 -.001 |
|
O6b .9881 .1833 .7937 .0098 .011 .011 .006 .004 -.002 -.002 |
|
O6c .9887 .8060 .7991 .0089 .011 .012 .005 .007 -.001 .003 |
|
O6d .1950 .0112 .7982 .007 .009 .009 .004 .005 .002 .003 |
|
O6e .8146 .0096 .7948 .0085 .008 .009 .008 .004 .002 .003 |
|
O6f .8186 .8100 .7993 .0098 .011 .011 .008 .006 .005 .003 |
|
O7a .9944 .2833 .0879 .0102 .014 .008 .011 .007 .002 .001 |
|
O7b .2857 .2858 .0924 .0081 .006 .006 .007 -.001 -.002 -.002 |
|
O7c .0018 .7176 .0985 .0088 .010 .008 .011 .006 .004 .007 |
|
O7d .7130 .7154 .0930 .0072 .005 .007 .009 .003 .002 .002 |
|
O7e .7156 .0018 .0938 .0107 .004 .014 .014 .005 .003 -.001 |
|
O7f .2801 .9975 .1021 .0103 .011 .014 .010 .009 -.003 .001 |
|
O8a .2075 .2686 .4534 .0123 .007 .012 .020 .006 .006 .006 |
|
O8b .3953 .4574 .1240 .0100 .007 .008 .012 .001 .003 -.003 |
|
O8c .5421 .6065 .1273 .0084 .007 .005 .010 .001 .003 -.001 |
|
O8d .0630 .4591 .1119 .0103 .011 .008 .015 .006 -.004 -.002 |
|
O8e .3985 .2749 .7953 .0100 .011 .007 .014 .006 -.002 -.001 |
|
O8f .3924 .9345 .1336 .0107 .009 .009 .015 .0054 .0032 .0038 |
|
Na1 .6667 .3333 .5833 .96 .0267 .026 .028 .026 .013 .005 .004 |
|
Sia .5242 .8573 .6843 .0047 .0037 .0046 .0053 .0016 .0009 .0011 |
|
Sib .3300 .8564 .6823 .0050 .0051 .0047 .0057 .0030 .0010 .0004 |
|
Sic .1435 .6688 .6841 .0052 .0043 .0049 .0064 .0024 .0015 .0012 |
|
Sid .5231 .6688 .6875 .0049 .0046 .0052 .0056 .0029 .0002 .0017 |
|
Sie .3301 .4756 .6876 .0048 .0039 .0051 .0057 .0024 .0008 .0020 |
|
Sif .1429 .4755 .6860 .0049 .0044 .0048 .0060 .0028 .0016 .0020 |
|
AlaY .2716 .7272 .3208 .292 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
|
MgaY .2716 .7272 .3208 .344 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
|
FeaY .2716 .7272 .3208 .364 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
|
AlbY .4558 .7277 .3235 .375 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
MgbY .4558 .7277 .3235 .344 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
CrbY .4558 .7277 .3235 .022 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
FebY .4558 .7277 .3235 .269 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
AlcY .2710 .5430 .3245 .399 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
MgcY .2710 .5430 .3245 .098 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
CrcY .2710 .5430 .3245 .238 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
NicY .2710 .5430 .3245 .112 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
AlaZ .2972 .0359 .6293 .936 .0034 .0031 .0033 .0036 .0014 .0005 -.0000 |
|
MgaZ .2972 .0359 .6293 .064 .0034 .0031 .0033 .0036 .0014 .0005 -.0000 |
|
AlbZ .6299 .0357 .9620 .801 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
|
MgbZ .6299 .0357 .9620 .166 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
|
NibZ .6299 .0357 .9620 .033 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
|
AlcZ .7382 .0360 .6289 .946 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
|
MgcZ .7382 .0360 .6289 .045 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
|
NicZ .7382 .0360 .6289 .010 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
|
AldZ .4048 .0355 .9617 .387 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
MgdZ .4048 .0355 .9617 .542 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
VdZ .4048 .0355 .9617 .031 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
FedZ .4048 .0355 .9617 .002 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
TidZ .4048 .0355 .9617 .039 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
AleZ .6296 .5946 .9622 .915 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
|
MgeZ .6296 .5946 .9622 .082 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
|
NieZ .6296 .5946 .9622 .003 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
|
AlfZ .6310 .9281 .2953 .629 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
|
MgfZ .6310 .9281 .2953 .316 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
|
CrfZ .6310 .9281 .2953 .055 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
|
B1 .4472 .2238 .8019 .0082 .009 .010 .008 .006 .002 .003 |
|
B2 .4419 .8855 .1399 .0075 .006 .009 .007 .004 .002 .002 |
|
B3 .7766 .2225 .8087 .0081 .006 .006 .010 .001 .003 .005 |
|
O1a .3320 .6640 .4525 .0127 .013 .014 .013 .008 .001 -.001 |
|
O2a .2115 .6033 .1747 .0010 .006 .011 .010 .003 .002 .003 |
|
O2b .3926 .6032 .1790 .0100 .010 .012 .011 .008 .001 .003 |
|
O2c .3945 .7872 .1729 .0099 .009 .007 .012 .003 .002 -.000 |
|
O3a .2018 .7970 .1981 .0125 .014 .012 .003 .000 .001 .001 |
|
H3a .1957 .7863 .1043 .00 |
|
O3b .5430 .0802 .8620 .0148 .017 .026 .005 .013 .001 -.000 |
|
H3b .5407 .0773 .7833 .02 |
|
O3c .5918 .7938 .1959 .0138 .029 .020 .003 .020 .000 .001 |
|
H3c .5927 .7933 .0823 .05 |
|
O4a .4271 .8571 .7541 .0100 .005 .016 .011 .007 .001 .000 |
|
O4b .1457 .5739 .7588 .0114 .021 .007 .011 .011 .004 .004 |
|
O4c .4234 .5760 .7571 .0111 .006 .008 .010 -.003 .002 .003 |
|
O5a .2414 .7581 .7757 .0091 .005 .006 .012 -.001 -.003 .003 |
|
O5b .2381 .4796 .7818 .0093 .008 .015 .009 .009 .001 .003 |
|
O5c .5167 .7601 .7781 .0093 .013 .007 .011 .007 .002 .002 |
|
O6a .5260 .8497 .4624 .0110 .014 .015 .007 .009 .000 -.001 |
|
O6b .3215 .8499 .4603 .0098 .011 .011 .006 .004 -.002 -.002 |
|
O6c .3221 .4726 .4657 .0089 .011 .012 .005 .007 -.001 .003 |
|
O6d .5284 .6778 .4648 .007 .009 .009 .004 .005 .002 .003 |
|
O6e .1480 .6762 .4614 .0085 .008 .009 .008 .004 .002 .003 |
|
O6f .1520 .4766 .4659 .0098 .011 .011 .008 .006 .005 .003 |
|
O7a .3278 .9499 .7545 .0102 .014 .008 .011 .007 .002 .001 |
|
O7b .6191 .9524 .7590 .0081 .006 .006 .007 -.001 -.002 -.002 |
|
O7c .3352 .3842 .7651 .0088 .010 .008 .011 .006 .004 .007 |
|
O7d .0464 .3820 .7596 .0072 .005 .007 .009 .003 .002 .002 |
|
O7e .0490 .6684 .7604 .0107 .004 .014 .014 .005 .003 -.001 |
|
O7f .6135 .6641 .7687 .0103 .011 .014 .010 .009 -.003 .001 |
|
O8a .5409 .9352 .1200 .0123 .007 .012 .020 .006 .006 .006 |
|
O8b .7287 .1240 .7906 .0100 .007 .008 .012 .001 .003 -.003 |
|
O8c .8755 .2731 .7939 .0084 .007 .005 .010 .001 .003 -.001 |
|
O8d .3964 .1257 .7785 .0103 .011 .008 .015 .006 -.004 -.002 |
|
O8e .7319 .9415 .4619 .0100 .011 .007 .014 .006 -.002 -.001 |
|
O8f .7258 .6011 .8002 .0107 .009 .009 .015 .0054 .0032 .0038 |
|
|
| 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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Fluoro-potassichastingsite |
|
Lupulescu M V, Rakovan J, Dyar M D, Robinson G W, Hughes J M |
| |
The Canadian Mineralogist 47 (2009) 909-916 |
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Fluoro-potassichastingsite from the Greenwood mine, Orange County, New York: |
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A new end-member calcic amphibole |
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Locality: the Greenwood mine, Orange County, New York, USA |
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_database_code_amcsd 0006296 |
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9.9480 18.1777 5.3302 90 105.140 90 C2/m |
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atom x y z occ Uiso |
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KAm .5248 0 .0522 .36 .0428 |
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KA2 .5 -.034 0 .013 .01 |
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CaM4 0 .27999 .5 .936 .02 |
|
CaM4' 0 .255 .5 .015 .014 |
|
FeM1 0 .09116 .5 .519 .0095 |
|
MgM1 0 .09116 .5 .481 .0095 |
|
FeM2 .5 .32197 0 .619 .0075 |
|
MgM2 .5 .32197 0 .381 .0075 |
|
FeM3 0 0 0 .542 .0085 |
|
MgM3 0 0 0 .458 .0085 |
|
SiT1 .27871 .08541 .30210 .929 .0079 |
|
AlT1 .27871 .08541 .30210 .071 .0079 |
|
SiT2 .29054 .17262 .81095 .944 .0073 |
|
AlT2 .29054 .17262 .81095 .046 .0073 |
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O1 .10586 .08896 .21650 .0141 |
|
O2 .12106 .17519 .73056 .0136 |
|
F3 .11559 .0000 .71592 .99 .0284 |
|
O3 .11559 .0000 .71592 .01 .0284 |
|
O4 .36705 .24911 .79186 .0153 |
|
O5 .34741 .13728 .10438 .0154 |
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O6 .34365 .11953 .60240 .0157 |
|
O7 .3364 0 .2937 .0185 |
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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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