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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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Lazurite |
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Rastsvetaeva R K, Bolotina N B, Sapozhnikov A N, Kashaev A A, Schoenleber A, |
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Chapuis G |
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Crystallography Reports 47 (2002) 404-407 |
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Average structure of cubic lazurite with a three-dimensional incommensurate |
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modulation |
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Locality: Malo-Bystrinskoe deposit, Lake Baikal region, Russia |
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_database_code_amcsd 0012380 |
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9.077 9.077 9.077 90 90 90 P23 |
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atom x y z occ Biso |
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Na1 .2585 .2585 .2585 .44 4.4 |
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Na2 .2019 .2019 .2019 .24 3.1 |
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Na3 .3253 .3253 .3253 .32 5.7 |
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Na4 .6872 .6872 .6872 .37 6.6 |
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NaM .7547 .7547 .7547 .216 5.1 |
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CaM .7547 .7547 .7547 .144 5.1 |
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Ca .8150 .8150 .8150 .27 5.0 |
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Si1 .5 .2499 0 .5 3.2 |
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Al1 .5 .2499 0 .5 3.2 |
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Si2 .5 0 .2499 .5 3.6 |
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Al2 .5 0 .2499 .5 3.6 |
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S1 0 0 0 .51 9.3 |
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S2 .5 .5 .5 .37 8.1 |
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OS1 .8996 .8996 .8996 .51 11.4 |
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OS2 .3930 .3930 .3930 .37 10.4 |
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S3 .1522 .5 .5 .056 19.3 |
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Cl3 .1522 .5 .5 .004 19.3 |
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S4 .2589 0 0 .066 8.7 |
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Cl4 .2589 0 0 .004 8.7 |
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S5 .2683 .5 .5 .026 10.3 |
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Cl5 .2683 .5 .5 .004 10.3 |
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S6 .1471 0 0 .046 11.6 |
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Cl6 .1471 0 0 .004 11.6 |
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O1 .3509 .3512 .0163 7.8 |
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O2' .1466 .1464 .5355 .68 4.3 |
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O2" .1508 .1521 .4502 .32 3.2 |
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Fukalite dimorph |
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Rastsvetaeva R K, Bolotina N B, Zadov A E, Chukanov N V |
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Doklady Earth Sciences 405A (2005) 1347-1351 |
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Crystal structure of fukalite dimorph Ca4[Si2O6](CO3)(OH)2 from the |
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Gumeshevsk Deposit the Urals |
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Locality: Gumeshevsk Deposit the Urals |
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_database_code_amcsd 0012514 |
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3.786 10.916 23.379 90 90 90 P2_12_12_1 |
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atom x y z occ Biso |
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Ca1 .2519 .3742 .4562 .55 |
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Ca2 .2566 .0553 .6907 .74 |
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Ca3 .2493 .3082 .1932 .79 |
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Ca4 .2471 .1241 .9545 .58 |
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Si1 .3275 .3734 .7216 .49 .51 |
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Si2 .1787 .3782 .5875 .52 .12 |
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Si3 .1533 .3756 .7137 .49 .54 |
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Si4 .3384 .3712 .5839 .48 1.3 |
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C .281 .1231 .0813 .29 |
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O1 .262 .2550 .5515 .6 |
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O2 .252 .5084 .0462 .6 |
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O3 .248 .2284 .0523 .8 |
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O4 .235 .0242 .0506 .9 |
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O5 .211 .1281 .1351 .8 |
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O6 .188 .4993 .2427 1 1.5 |
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O7 .237 .2461 .7413 3.2 |
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O8 .359 .3768 .6483 1.1 |
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O9 .238 .125 .2582 .53 .9 |
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O10 .263 .123 .3980 .46 .9 |
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Oh1 .259 .1256 .8565 .9 |
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Oh2 .242 .3782 .3571 1 .8 |
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Hl .255 .058 .849 3.0 |
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H2 .243 .314 .342 3.0 |
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