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Colquiriite |
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Bolotina N B, Maksimov B A, Simonov V I, Derzhavin S I, Uvarova T V, Apollonov V V |
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Crystallography Reports 38 (1993) 446-450 |
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Atomic structure and spectral properties of LiCaAlF6:Cr3+ single crystals |
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Locality: synthetic |
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_database_code_amcsd 0012340 |
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5.007 5.007 9.642 90 90 120 P-31c |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca 0 0 0 .612 .0089 .0089 .0013 .0045 0 0 |
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Li 1/3 2/3 .25 1.330 .0143 .0143 .0049 .0072 0 0 |
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Al 2/3 1/3 .25 .517 .0066 .0066 .0015 .0033 0 0 |
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F .3769 .0311 .1434 .926 .0117 .0100 .0026 .0040 -.0023 -.0007 |
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Colquiriite |
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Bolotina N B, Maksimov B A, Simonov V I, Derzhavin S I, Uvarova T V, Apollonov V V |
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Crystallography Reports 38 (1993) 446-450 |
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Atomic structure and spectral properties of LiCaAlF6:Cr3+ single crystals |
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Locality: synthetic |
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Sample: LiCaAlF6:Cr3+ |
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_database_code_amcsd 0012341 |
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5.008 5.008 9.642 90 90 120 P-31c |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca 0 0 0 .634 .0095 .0095 .0013 .0048 0 0 |
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Li 1/3 2/3 .25 1.359 .0154 .0154 .0047 .0077 0 0 |
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Al 2/3 1/3 .25 .513 .0068 .0068 .0014 .0034 0 0 |
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F .3768 .0310 .1434 .935 .0123 .0105 .0026 .0043 -.0023 -.0007 |
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Tarbuttite |
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Genkina E A, Maksimov B A, Mel'nikov O K |
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Doklady Akademii Nauk SSSR 282 (1985) 314-317 |
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Crystal structure of synthetic tarbutite Zn2[PO4](OH) |
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Locality: synthetic |
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_database_code_amcsd 0012477 |
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5.5517 5.7001 6.4707 102.67 102.81 86.88 P-1 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Zn1 .3862 .2482 .4916 .44 .0012 .0049 .0059 .0002 .0049 .0048 |
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Zn2 .0276 .7384 .1897 .31 .0024 .0030 .0040 .0006 .0037 .0028 |
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P .8371 .2497 .2757 .22 .0017 .0031 .0019 .0005 .0039 .0036 |
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O1 .7759 .9935 .1498 .99 .0066 .0059 .0066 .0037 .0051 .0008 |
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O2 .9421 .3845 .1336 .75 .0097 .0058 .0061 .0077 .0099 .0082 |
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O3 .6029 .3782 .3342 .68 .0050 .0056 .0083 .0034 .0083 .0059 |
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O4 .9696 .7514 .5137 .70 .0033 .0063 .0053 .0029 .0022 .0047 |
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O5 .3595 .8872 .2954 .85 .0056 .0076 .0053 .0019 .0057 .0019 |
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H .428 .946 .193 1.57 |
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Innelite |
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Chernov A N, Ilyukhin V V, Maksimov B A, Belov N V |
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Soviet Physics - Crystallography 16 (1971) 65-69 |
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Crystal structure of innelite - Na2Ba3(Ba,K,Mn)(Ca,Na)Ti(TiO2)2[Si2O7]2(SO4)2 |
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Locality: Inaglinskii Massif, Southern Yakusk, Russia |
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_database_code_amcsd 0015554 |
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14.76 7.14 5.38 90 95 99 P1 |
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atom x y z occ |
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Na1 .681 .423 .270 |
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Na2 .677 .662 .761 |
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NaM .678 .149 .784 .33 |
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CaM .678 .149 .784 .16 |
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MgM .678 .149 .784 .27 |
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FeM .678 .149 .784 .2 |
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Ba1 0 0 0 |
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Ba2 .299 .293 .0624 |
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Ba3 .0784 .537 .513 |
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Ba4 .302 .842 .575 |
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Ti1 .488 .368 .602 |
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Ti2 .677 .916 .319 |
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Ti3 .889 .480 .976 |
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Si1 .495 .652 .108 |
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Si2 .500 .0791 .0982 |
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Si3 .877 .195 .473 |
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Si4 .875 .760 .474 |
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S1 .204 .705 .045 |
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S2 .164 .122 .528 |
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O1 .452 .858 .106 |
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O2 .610 .895 .606 |
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O3 .919 .295 .233 |
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O4 .447 .542 .845 |
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O5 .0957 .689 .0458 |
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O6 .918 .288 .733 |
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O7 .771 .445 .952 |
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O8 .763 .742 .452 |
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O9 .125 .212 .767 |
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O10 .129 .217 .295 |
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O11 .130 .919 .558 |
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O12 .264 .150 .561 |
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O13 .234 .615 .284 |
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O14 .238 .619 .833 |
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O15 .244 .919 .0721 |
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O16 .917 .675 .233 |
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O17 .919 .686 .741 |
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O18 .599 .407 .605 |
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O19 .451 .172 .867 |
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O20 .453 .148 .348 |
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O21 .450 .538 .333 |
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O22 .915 .994 .495 |
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O23 .767 .127 .444 |
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O24 .600 .114 .127 |
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O25 .607 .683 .108 |
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O26 .752 .919 .0167 |
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Khibinskite |
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Chernov A N, Maksimov B A, Ilyukhin V V, Belov N V |
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Soviet Physics Doklady 15 (1971) 711-713 |
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Crystalline structure of monoclinic modification of K,Zr-diorthosilicate |
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(K2ZrSi2O7) |
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Locality: synthetic |
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_database_code_amcsd 0015597 |
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9.54 14.26 5.60 90 90 116.517 P2_1/b |
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atom x y z |
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K1 .035 .426 .264 |
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K2 .482 .592 .260 |
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Zr .237 .232 .253 |
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Si1 .172 .369 .744 |
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Si2 .336 .114 .741 |
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O1 .004 .629 .264 |
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O2 .309 .492 .795 |
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O3 .476 .316 .232 |
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O4 .217 .342 .464 |
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O5 .185 .296 .935 |
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O6 .245 .111 .007 |
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O7 .265 .148 .540 |
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Thalenite-(Y) |
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Kornev A N, Batalieva N G, Maksimov B A, Ilyukhin V V, Belov N V |
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Soviet Physics Doklady 17 (1972) 88-90 |
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Crystal structure of the talenite Y3 [Si3O10](OH) |
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Locality: Russia |
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_database_code_amcsd 0015599 |
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10.343 7.294 11.093 90 90 96.917 P2_1/n |
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atom x y z occ Biso |
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YI .312 .905 .230 .95 1.45 |
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FeI .312 .905 .230 .05 1.45 |
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YII -.017 .237 .534 .95 1.80 |
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FeII -.017 .237 .534 .05 1.80 |
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YIII .497 .301 .402 .95 1.86 |
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FeIII .497 .301 .402 .05 1.86 |
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Si1 .111 .232 .245 .95 1.57 |
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Al1 .111 .232 .245 .05 1.57 |
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Si2 .209 .493 .039 .95 1.36 |
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Al2 .209 .493 .039 .05 1.36 |
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Si3 .741 .023 .085 .95 1.33 |
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Al3 .741 .023 .085 .05 1.33 |
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O1 .981 .260 .318 1.35 |
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O2 .119 .023 .231 1.01 |
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O3 .365 .469 .018 2.07 |
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O4 .123 .325 .114 1.83 |
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O5 .230 .340 .325 1.63 |
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O6 .369 .023 .414 2.07 |
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O7 .362 .012 .026 2.19 |
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O8 .690 .181 .391 .99 |
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O9 .700 .211 .143 1.65 |
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O10 .893 .042 .047 1.94 |
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OH11 .440 .196 .218 1.14 |
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