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Carmichaelite |
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Wang L, Rouse R C, Essene E J, Peacor D R, Zhang Y |
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American Mineralogist 85 (2000) 792-800 |
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Carmichaelite, a new hydroxyl-bearing titanate from Garnet Ridge, Arizona |
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_database_code_amcsd 0002458 |
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7.706 4.5583 20.187 90 92.334 90 P2_1/c |
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atom x y z occ Biso |
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Ti1 .5 0 0 1.3 |
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Ti2 .0562 .007 .3113 .94 .30 |
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V2 .0562 .007 .3113 .06 .30 |
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Ti3 .4128 .992 .3691 .975 .34 |
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Nb3 .4128 .992 .3691 .025 .34 |
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Ti4 .1328 .999 .9448 .57 |
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Cr5 .3271 .000 .7396 .775 .65 |
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Cr6 .2187 .016 .5747 .27 .7 |
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Fe6 .2187 .016 .5747 .17 .7 |
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Al6 .2187 .016 .5747 .18 .7 |
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Mg7 .2799 .040 .2046 .14 .6 |
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Fe8 .2375 .021 .1051 .31 .5 |
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Mg8 .2375 .021 .1051 .16 .5 |
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O1 .703 .293 .4866 2.5 |
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O2 .259 .255 .8074 1.1 |
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O3 .173 .283 .1637 2.1 |
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O4 .807 .283 .1193 1.7 |
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O5 .624 .215 .3502 .9 |
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O6 .066 .252 .0206 2.6 |
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O7 .355 .286 .4372 2.3 |
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O8 .523 .253 .2140 2.7 |
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O9 .889 .240 .2564 .9 |
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O10 .986 .233 .3930 1.2 |
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O11 .436 .283 .0731 2.3 |
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Siderotil |
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Peterson R C, Roeder P L, Zhang Y |
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The Canadian Mineralogist 41 (2003) 671-676 |
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The atomic structure of siderotil, (Fe,Cu)SO4.5H2O |
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_database_code_amcsd 0005844 |
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6.292 10.632 6.072 82.63 110.02 105.19 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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CuM1 0 0 0 .54 .0270 .0275 .0297 .0233 .0073 .0072 -.0006 |
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FeM1 0 0 0 .35 .0270 .0275 .0297 .0233 .0073 .0072 -.0006 |
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ZnM1 0 0 0 .05 .0270 .0275 .0297 .0233 .0073 .0072 -.0006 |
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MgM1 0 0 0 .06 .0270 .0275 .0297 .0233 .0073 .0072 -.0006 |
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FeM2 1/2 1/2 0 .76 .0214 .0205 .0255 .0183 .0066 .0063 .0015 |
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FeM2 1/2 1/2 0 .11 .0214 .0205 .0255 .0183 .0066 .0063 .0015 |
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FeM2 1/2 1/2 0 .13 .0214 .0205 .0255 .0183 .0066 .0063 .0015 |
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S .0301 .2886 .6519 .0204 .0177 .0254 .0168 .0052 .0046 .0008 |
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O1 .9256 .1519 .7050 .0323 .028 .030 .032 .000 .008 .002 |
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O2 .2628 .3269 .8290 .0300 .024 .031 .027 .005 -.001 .001 |
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O3 .8838 .3748 .6554 .0295 .025 .041 .026 .015 .006 -.003 |
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O4 .0581 .2988 .4177 .0303 .034 .041 .021 .012 .012 .001 |
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Wat5 .8283 .0750 .1585 .0349 .039 .035 .035 .006 .018 -.004 |
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Wat6 .3097 .1173 .1807 .0327 .034 .028 .034 .002 .011 -.002 |
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Wat7 .4765 .4040 .3171 .0316 .030 .043 .021 .009 .009 .006 |
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Wat8 .7603 .4061 .0277 .0328 .029 .047 .028 .020 .009 .000 |
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Wat9 .4476 .1302 .6631 .0373 .027 .043 .037 .008 .008 .007 |
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B2 O6 Sr |
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Wei Z, Chen X, Wang F, Li W, He M, Zhang Y |
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Journal of Alloys and Compounds 327 (2001) 10-13 |
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Phase relations in the ternary system SrO-TiO2-B2O3 |
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_cod_database_code 1100067 |
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_database_code_amcsd 0018245 |
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9.0429 9.0429 12.5664 90 90 120 R-3c |
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atom x y z |
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Sr .3551 0 .25 |
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B 0 0 .1146 |
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O .1588 .0107 .1148 |
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B5 Ca3 La3 O15 |
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Zhang Y, Liang J, Chen X, He M, Xu T |
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Journal of Alloys and Compounds 327 (2001) 96-99 |
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A structural study of Ca3La3(BO3)5 |
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_cod_database_code 1100055 |
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_database_code_amcsd 0018238 |
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10.5319 10.5319 6.4077 90 90 120 P6_3mc |
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atom x y z |
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B1 0 0 .7520 |
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B2 1/3 2/3 .3933 |
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B3 .8033 -.8033 .4614 |
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Ca1 .5271 -.5271 .2366 |
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La1 .8440 -.8440 -.0826 |
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O1 .3738 .0668 .5516 |
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O2 .9269 -.9269 .2566 |
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O3 .4087 -.4087 .3993 |
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O4 .7750 -.7750 -.2691 |
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| Download AMC data (View Text File)
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B2 Na3 O6 Y |
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Zhang Y, Chen X, Liang J, Xu T |
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Journal of Alloys and Compounds 333 (2002) 72-75 |
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Synthesis and structural study of new rarte earth sodium |
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borates of Na3Ln(BO2)3(Ln=Y,Gd) |
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_cod_database_code 1100065 |
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_database_code_amcsd 0018244 |
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6.5050 8.5172 12.0213 90 118.72 90 P2_1/c |
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atom x y z |
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B1 .1536 .4464 .3739 |
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B2 .3651 .5901 .1394 |
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Na1 .4027 .7955 .3763 |
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Na2 .0671 .2919 .0720 |
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Na3 .3352 .9472 .1138 |
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O1 .2687 .3359 .4791 |
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O2 .0539 .3791 .2552 |
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O3 .1420 .5967 .3961 |
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O4 .2578 .6913 .1785 |
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O5 .2629 .5059 .0227 |
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O6 .3999 .0772 .3074 |
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Y .0982 .1266 .3294 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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