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Ferro-axinite |
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Filip J, Kolitsch U, Novak M, Schneeweiss O |
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The Canadian Mineralogist 44 (2006) 1159-1170 |
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The crystal structure of near-end-member ferroaxinite from an iron-contaminated |
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pegmatite at Malesov, Czech Republic |
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Locality: Malesov, Czech Republic |
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_database_code_amcsd 0006111 |
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7.152 9.206 8.962 91.84 98.17 77.33 P-1 |
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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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CaX1 .74654 .34815 .39531 .00780 .00888 .00599 .00774 -.00090 -.00066 .00133 |
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CaX2 .18294 .10007 .08383 .00845 .00941 .00784 .00767 -.00303 -.00257 .00229 |
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FeY .76793 .590928 .111915 .9413 .00825 .00543 .01147 .00813 -.00209 .00081 .00305 |
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MgY .76793 .590928 .111915 .0587 .00825 .00543 .01147 .00813 -.00209 .00081 .00305 |
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AlZ1 .05241 .80071 .25398 .9837 .00379 .00382 .00396 .00362 -.00084 .00061 .00019 |
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FeZ1 .05241 .80071 .25398 .0163 .00379 .00382 .00396 .00362 -.00084 .00061 .00019 |
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AlZ2 .35207 .93593 .42115 .00415 .00418 .00429 .00414 -.00133 .00059 -.00033 |
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BT5 .46146 .63436 .28684 .00474 .0046 .0049 .0047 -.0009 .0008 -.0004 |
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SiT1 .21024 .44997 .23430 .00447 .00501 .00399 .00438 -.00106 .00035 .00039 |
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SiT2 .21917 .27475 .52333 .00379 .00349 .00387 .00406 -.00101 .00036 .00019 |
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SiT3 .69820 .25644 .01151 .00459 .00519 .00459 .00374 -.00041 .00070 .00040 |
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SiT4 .64140 .01946 .23044 .00413 .00392 .00491 .00372 -.00115 .00077 .00019 |
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O1 .05360 .60321 .18957 .00670 .0068 .0049 .0078 -.0006 -.0002 .0002 |
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O2 .23119 .33833 .09578 .00882 .0116 .0072 .0077 -.0019 .0018 -.0021 |
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O3 .41844 .48704 .31215 .00670 .0055 .0053 .0095 -.0023 -.0005 .0013 |
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O4 .13537 .37210 .36980 .00996 .0083 .0132 .0087 -.0032 -.0003 .0062 |
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O5 .02163 .24270 .56436 .00626 .0051 .0087 .0057 -.0026 .0014 .0009 |
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O6 .32702 .38060 .64393 .00649 .0048 .0061 .0081 -.0015 -.0005 -.0019 |
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O7 .38056 .12747 .49578 .00539 .0046 .0045 .0067 -.0006 .0005 -.0014 |
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O8 .53476 .34395 .87689 .00692 .0072 .0080 .0048 .0007 .0014 .0014 |
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O9 .87563 .15555 .93367 .00590 .0057 .0061 .0055 -.0001 .0017 -.0002 |
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O10 .76780 .36672 .13914 .00874 .0113 .0081 .0068 -.0028 .0006 -.0017 |
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O11 .60268 .13512 .08713 .00901 .0100 .0099 .0078 -.0032 .0009 .0044 |
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O12 .43624 .98117 .24413 .00590 .0048 .0086 .0051 -.0027 .0011 .0007 |
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O13 .72081 .10006 .38469 .00604 .0070 .0071 .0045 -.0027 .0008 -.0010 |
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O14 .79432 .87507 .17743 .00700 .0050 .0081 .0067 .0008 .0003 -.0011 |
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O15 .32502 .74622 .35434 .00497 .0046 .0047 .0057 -.0008 .0011 -.0011 |
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Oh16 .09682 .99539 .32260 .00578 .0047 .0062 .0064 -.0007 .0014 -.0009 |
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H .993 .963 .631 .021 |
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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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Axinite-(Fe) |
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Filip J, Kolitsch U, Novak M, Schneeweiss O |
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The Canadian Mineralogist 44 (2006) 1159-1170 |
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The crystal structure of near-end-member ferroaxinite from an iron-contaminated |
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pegmatite at Malesov, Czech Republic |
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Locality: Malesov, Czech Republic |
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_database_code_amcsd 0006112 |
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7.152 9.206 8.962 91.84 98.17 77.33 P-1 |
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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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CaX1 .74654 .34815 .39531 .00780 .00888 .00599 .00774 -.00090 -.00066 .00133 |
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CaX2 .18294 .10007 .08383 .00845 .00941 .00784 .00767 -.00303 -.00257 .00229 |
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FeY .76793 .590928 .111915 .9413 .00825 .00543 .01147 .00813 -.00209 .00081 .00305 |
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MgY .76793 .590928 .111915 .0587 .00825 .00543 .01147 .00813 -.00209 .00081 .00305 |
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AlZ1 .05241 .80071 .25398 .9837 .00379 .00382 .00396 .00362 -.00084 .00061 .00019 |
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FeZ1 .05241 .80071 .25398 .0163 .00379 .00382 .00396 .00362 -.00084 .00061 .00019 |
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AlZ2 .35207 .93593 .42115 .00415 .00418 .00429 .00414 -.00133 .00059 -.00033 |
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BT5 .46146 .63436 .28684 .00474 .0046 .0049 .0047 -.0009 .0008 -.0004 |
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SiT1 .21024 .44997 .23430 .00447 .00501 .00399 .00438 -.00106 .00035 .00039 |
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SiT2 .21917 .27475 .52333 .00379 .00349 .00387 .00406 -.00101 .00036 .00019 |
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SiT3 .69820 .25644 .01151 .00459 .00519 .00459 .00374 -.00041 .00070 .00040 |
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SiT4 .64140 .01946 .23044 .00413 .00392 .00491 .00372 -.00115 .00077 .00019 |
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O1 .05360 .60321 .18957 .00670 .0068 .0049 .0078 -.0006 -.0002 .0002 |
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O2 .23119 .33833 .09578 .00882 .0116 .0072 .0077 -.0019 .0018 -.0021 |
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O3 .41844 .48704 .31215 .00670 .0055 .0053 .0095 -.0023 -.0005 .0013 |
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O4 .13537 .37210 .36980 .00996 .0083 .0132 .0087 -.0032 -.0003 .0062 |
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O5 .02163 .24270 .56436 .00626 .0051 .0087 .0057 -.0026 .0014 .0009 |
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O6 .32702 .38060 .64393 .00649 .0048 .0061 .0081 -.0015 -.0005 -.0019 |
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O7 .38056 .12747 .49578 .00539 .0046 .0045 .0067 -.0006 .0005 -.0014 |
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O8 .53476 .34395 .87689 .00692 .0072 .0080 .0048 .0007 .0014 .0014 |
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O9 .87563 .15555 .93367 .00590 .0057 .0061 .0055 -.0001 .0017 -.0002 |
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O10 .76780 .36672 .13914 .00874 .0113 .0081 .0068 -.0028 .0006 -.0017 |
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O11 .60268 .13512 .08713 .00901 .0100 .0099 .0078 -.0032 .0009 .0044 |
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O12 .43624 .98117 .24413 .00590 .0048 .0086 .0051 -.0027 .0011 .0007 |
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O13 .72081 .10006 .38469 .00604 .0070 .0071 .0045 -.0027 .0008 -.0010 |
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O14 .79432 .87507 .17743 .00700 .0050 .0081 .0067 .0008 .0003 -.0011 |
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O15 .32502 .74622 .35434 .00497 .0046 .0047 .0057 -.0008 .0011 -.0011 |
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Oh16 .09682 .99539 .32260 .00578 .0047 .0062 .0064 -.0007 .0014 -.0009 |
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H .993 .963 .631 .021 |
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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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Allanite-(Nd) |
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Skoda R, Cempirek J, Filip J, Novak M, Veselovsky F, Ctvrtlik R |
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American Mineralogist 97 (2012) 983-988 |
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Allanite-(Nd), CaNdAl2Fe2+(SiO4)(Si2O7)O(OH), a new mineral from Askagen, Sweden |
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Locality: Askagen pegmatite, Varmland, Sweden |
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_database_code_amcsd 0018878 |
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8.8897 5.7308 10.1010 90 115.166 90 P2_1/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 .75598 .75 .14977 .872 .0166 .0243 .0125 .0167 0 .0125 0 |
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Mn1 .75598 .75 .14977 .128 .0166 .0243 .0125 .0167 0 .0125 0 |
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Nd2 .59422 .75 .43015 .712 .01612 .01462 .01892 .01285 0 .00393 0 |
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Ca2 .59422 .75 .43015 .288 .01612 .01462 .01892 .01285 0 .00393 0 |
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Al1 0 0 0 .867 .0111 .0108 .0088 .0130 -.0004 .0044 .0002 |
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Fe1 0 0 0 .133 .0111 .0108 .0088 .0130 -.0004 .0044 .0002 |
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Al2 0 0 .5 .0109 .0108 .0082 .0127 .0000 .0042 -.0003 |
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Fe3 .30158 .25 .21539 .831 .0137 .0118 .0122 .0136 0 .0019 0 |
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Al3 .30158 .25 .21539 .169 .0137 .0118 .0122 .0136 0 .0019 0 |
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Si1 .33821 .75 .03982 .0119 .0125 .0103 .0123 0 .0048 0 |
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Si2 .68558 .25 .27747 .0123 .0131 .0106 .0126 0 .0050 0 |
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Si3 .18939 .75 .32483 .0115 .0113 .0109 .0121 0 .0049 0 |
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O1 .2318 .9888 .0267 .0163 .0149 .0113 .0241 .0015 .0096 .0017 |
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O2 .3153 .9725 .3686 .0175 .0177 .0175 .0178 -.0039 .0080 -.0011 |
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O3 .7970 .0148 .3360 .0176 .0149 .0115 .0192 .0011 .0005 -.0017 |
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O4 .0562 .25 .1296 .0142 .0128 .0149 .0146 0 .0055 0 |
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O5 .0507 .75 .1511 .0144 .0137 .0150 .0153 0 .0070 0 |
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O6 .0682 .75 .4116 .0133 .0159 .0109 .0149 0 .0084 0 |
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O7 .5090 .75 .1837 .0186 .0155 .0185 .0184 0 .0040 0 |
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O8 .5403 .25 .3292 .0250 .0178 .0386 .0206 0 .0100 0 |
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O9 .6096 .25 .0982 .0201 .0214 .0247 .0157 0 .0094 0 |
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O10 .0874 .25 .4297 .0150 .0173 .0136 .0164 0 .0094 0 |
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H10 .072 .25 .339 .029 |
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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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