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TaS2 |
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Meetsma A, Wiegers G A, Haange R J, de Boer J L |
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Acta Crystallographica C46 (1990) 1598-1599 |
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Structure of 2H-TaS2 |
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_database_code_amcsd 0010177 |
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3.314 3.314 12.097 90 90 120 P6_3/mmc |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ta 0 0 .25 .0034 .0034 .0065 .0017 0 0 |
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S 1/3 2/3 .1212 .0048 .0048 .0068 .0024 0 0 |
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ErMnO3 |
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Van Aken B B, Meetsma A, Palstra T T M |
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Acta Crystallographica E57 (2001) i38-i40 |
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Hexagonal ErMnO3 |
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_database_code_amcsd 0010357 |
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6.1121 6.1121 11.4200 90 90 120 P6_3cm |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Er1 0 0 -.22783 .0084 .0093 .0093 .0067 .0047 0 0 |
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Er2 1/3 2/3 .22951 .00890 .0090 .0090 .0088 .00450 0 0 |
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Mn 0 .3396 -.00248 .0090 .0122 .0105 .0048 .0061 0 .0015 |
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O1 0 .3593 -.1645 .012 .030 .008 .004 .015 0 -.001 |
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O2 0 .3113 .1620 .012 .018 .012 .008 .009 0 .001 |
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O3 0 0 -.025 .010 .010 .010 .009 .005 0 0 |
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O4 1/3 2/3 .0161 .011 .013 .013 .008 .0066 0 0 |
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YbMnO3 |
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Van Aken B B, Meetsma A, Palstra T T M |
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Acta Crystallographica E57 (2001) i87-i89 |
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Hexagonal YbMnO3 revisited |
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_database_code_amcsd 0010363 |
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6.0584 6.0584 11.3561 90 90 120 P6_3cm |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Yb1 0 0 .27336 .00427 .0047 .0047 .0035 .00230 0 0 |
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Yb2 1/3 2/3 .23061 .00472 .00350 .00360 .0071 .00180 0 0 |
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Mn .3333 0 -.00194 .0054 .0069 .0048 .0039 .0024 .0002 0 |
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O1 .3030 0 .1617 .0039 .0050 .0017 .0041 .0009 -.0019 0 |
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O2 .3610 0 -.1658 .0074 .014 .0001 .0033 .0000 .0002 0 |
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O3 0 0 -.0268 .004 .003 .003 .005 .0016 0 0 |
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O4 1/3 2/3 .0192 .0059 .009 .009 .000 .0047 0 0 |
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LuMnO3 |
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Van Aken B B, Meetsma A, Palstra T T M |
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Acta Crystallographica E57 (2001) i101-i103 |
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Hexagonal LuMnO3 revisited |
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_database_code_amcsd 0010367 |
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6.0380 6.0380 11.3610 90 90 120 P6_3cm |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Lu1 0 0 .27394 .00438 .0044 .0044 .0043 .00220 0 0 |
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Lu2 1/3 2/3 .23038 .004600 .00410 .00410 .0056 .00210 0 0 |
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Mn -.3355 -.3355 -.00077 .0048 .0053 .0053 .0023 .0016 -.0005 -.0005 |
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O1 -.3070 -.3070 .1642 .0053 .007 .007 .004 .005 .0015 .0015 |
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O2 -.3614 -.3614 -.1638 .0068 .006 .006 .007 .002 -.0018 -.0018 |
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O3 0 0 -.0285 .0034 .004 .004 .002 .0019 0 0 |
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O4 1/3 2/3 .0190 .0077 .009 .009 .005 .0045 0 0 |
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Khatyrkite |
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Meetsma A, de Boer J L, van Smaalen S |
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Journal of Solid State Chemistry 83 (1989) 370-372 |
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Refinement of the crystal structure of tetragonal Al2Cu |
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Locality: synthetic |
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_database_code_amcsd 0013668 |
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6.067 6.067 4.877 90 90 90 I4/mcm |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu 0 0 .25 .0087 .0087 .0062 0 0 0 |
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Al .1581 .6581 0 .0104 .0104 .0109 -.0021 0 0 |
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Nb Se3 |
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van Smaalen S, de Boer J, Meetsma A, Graafsma H, Sheu H, Darovskikh A, |
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Coppens P, Levy F |
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Physical Review B 45 (1992) 3103-3106 |
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Determination of the structural distortions corresponding to the q1- |
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and q2-type modulations in niobium triselenide Nb Se3 |
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_cod_database_code 1008952 |
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_database_code_amcsd 0016818 |
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9.974 3.476 15.592 90 109.4 90 P2_1/m |
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atom x y z |
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Nb1 .3858 .25 .7326 |
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Nb2 .2615 .75 -.0552 |
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Nb3 .3780 .25 .0837 |
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Se1 .2539 .75 .8132 |
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Se2 .4601 .75 .6267 |
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Se3 .5212 .75 .7174 |
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Se4 .1260 .25 -.0393 |
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Se5 .2273 .25 .0491 |
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Se6 .3881 .25 .8603 |
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Se7 .2534 .75 .1716 |
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Se8 .4246 .75 -.0195 |
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Se9 .4099 .75 .1658 |
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| Download AMC data (View Text File)
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