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Reinhardbraunsite |
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Galuskina I O, Lazic B, Armbruster T, Galuskin E V, Gazeev V M, Zadov A E, |
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Pertsev N N, Jezak L, Wrzalik R, Gurbanov A G |
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American Mineralogist 94 (2009) 1361-1370 |
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Kumtyubeite Ca5(SiO4)2F2 - A new calcium mineral of the humite group from |
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Northern Caucasus, Kabardino-Balkaria, Russia |
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Locality: Northern Caucasus, Kabardino-Balkaria, Russia |
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_database_code_amcsd 0004984 |
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11.4542 5.06180 8.89170 90 108.7698 90 P2_1/a |
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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 .5 0 .5 .00921 .0092 .0078 .0089 -.00105 .00059 -.00147 |
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Ca2 .16976 .00251 .31087 .00875 .00784 .00975 .00901 .00078 .00321 -.00043 |
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Ca3 .38090 .00879 .07952 .00909 .00943 .00949 .00827 .00005 .00273 .00118 |
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Si1 .35425 .57435 .29833 .00652 .0069 .00536 .00703 .00015 .00194 -.00004 |
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O1 .48447 .7052 .29332 .0087 .0065 .0090 .0102 -.0005 .0022 -.0002 |
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O2 .24736 .7042 .14547 .0090 .0089 .0090 .0083 -.0004 .0015 .0001 |
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O3 .33012 .7043 .45581 .0090 .0103 .0090 .0079 .0003 .0033 .0000 |
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O4 .35324 .2540 .29808 .0095 .0098 .0072 .0113 -.0001 .0029 -.0002 |
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O5 .0505 .2325 .0841 .697 .0124 |
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F5 .0636 .2829 .1163 .303 .0124 |
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H1 .024 .080 .025 .5 .050 |
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H2 .099 .36 .158 .197 .050 |
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View JMOL 3-D Structure (permalink) |
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Reinhardbraunsite |
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Kuznetsova T P, Nevskii N N, Ilyukhin V V, Belov N V |
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Soviet Physics Crystallography 25 (1980) 91-92 |
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Refinement of the crystal structure of calcium chondrodite Ca5[SiO4]2(OH)2=Ca(OH)2*2Ca2SiO4 |
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Locality: synthetic |
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_database_code_amcsd 0015581 |
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8.9207 11.4481 5.0759 90 90 108.32 P2_1/b |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca1 0 0 0 .00152 .00112 .00358 .00011 -.00143 -.00056 |
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Ca2 .1875 .3301 .0004 .00152 .00087 .00550 .00092 -.00053 .00053 |
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Ca3 .4185 .1195 -.0100 .00151 .00122 .00544 .00104 .00123 .00003 |
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Si1 .2006 .1452 .4259 .00107 .00090 .00212 .00074 .00008 .00016 |
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O1 .2065 .0156 .2946 .00246 .00116 .00576 .00146 -.00029 -.00015 |
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O2 .0442 .1699 .2961 .00166 .00147 .00704 .00163 .00000 .00077 |
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O3 .3534 .2524 .2984 .00148 .00114 .00779 .00032 .00076 .00032 |
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O4 .1996 .1464 .7450 .00238 .00158 .00452 .00107 .00024 .00068 |
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OH5 .4006 .4422 .7448 .00367 .00382 .03290 .01255 .04120 .01630 |
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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 (permalink) |
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Reinhardbraunsite |
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Kirfel A, Hamm H M, Will G |
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Tschermaks Mineralogische und Petrographische Mitteilungen 31 (1983) 137-150 |
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The crystal structure of reinhardbraunsite, Ca5(SiO4)2(OH,F)2, a new mineral |
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of the calcio-chondrodite type |
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Locality: synthetic |
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_database_code_amcsd 0015696 |
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11.458 5.052 8.840 90 108.91 90 P2_1/a |
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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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Cal .5 0 .5 .59 .00131 .00515 .00190 0 .00014 0 |
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Ca2 .16945 .00424 .30907 .53 .00108 .00569 .00194 .00040 .00055 .00026 |
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Ca3 .38147 .00820 .07791 .57 .00138 .00595 .00165 -.00007 .00052 .00023 |
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Si .35374 .57477 .29738 .98 .42 .00102 .00350 .00147 -.00008 .00036 -.00015 |
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P .35374 .57477 .29738 .02 .42 .00102 .00350 .00147 -.00008 .00036 -.00015 |
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O1 .48484 .70353 .29287 .41 .00114 .00712 .00276 -.00031 .00075 -.00046 |
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O2 .24725 .70627 .14380 .43 .00135 .00734 .00209 .00040 .00031 .00073 |
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O3 .33012 .70479 .45571 .64 .00164 .00596 .00217 .00004 .00077 .00024 |
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O4 .35234 .25310 .29631 .44 .00166 .00552 .00286 .00092 .00074 .00048 |
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F .05421 .25319 .09575 .485 .35 .00263 .01811 .00548 .00238 .00149 .00591 |
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O5 .05421 .25319 .09575 .63 .43 .00171 .01503 .00490 .00142 .00151 .00532 |
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H .021 .169 .042 .63 .43 .00171 .01503 .00490 .00142 .00151 .00532 |
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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 (permalink) |
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