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Na2MgGd2(Si4O12)F2 |
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Maisonneuve V, LeBlanc M |
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The Canadian Mineralogist 36 (1998) 1039-1043 |
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The crystal structure of Na2MgGd2(Si4O12)F2 and its relationship with |
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leucophanite |
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_database_code_amcsd 0005553 |
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5.178 7.510 14.381 90 90.22 90 P2_1/c |
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atom x y z Biso |
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Gd .51375 .22882 .95706 .427 |
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Si1 .0231 .2407 .8140 .43 |
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Si2 .0370 .3718 .6149 .42 |
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Mg 0 0 .5 .49 |
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Na .5040 .4570 .2106 1.89 |
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F .3366 .4607 .0610 .70 |
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O1 .1443 .2726 .7098 .70 |
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O2 .7152 .2423 .8137 .70 |
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O3 .1390 .0418 .8471 .62 |
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O4 .1636 .3733 .8853 .60 |
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O5 .8602 .2398 .5535 .67 |
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O6 .2868 .4433 .5595 .68 |
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Cr Cu P2 S6 |
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Maisonneuve V, Cajipe V, Payen C |
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Chemistry of Materials 5 (1993) 758-760 |
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Low-temperature neutron powder diffraction study of CuCrP2S6: |
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observation of an ordered, antipolar copper sublattice |
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_cod_database_code 1000355 |
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_database_code_amcsd 0012200 |
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5.935 10.282 13.368 90 106.78 90 Pb |
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atom x y z |
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Cu1 .071 0 .355 |
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Cu2 .441 .496 .148 |
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Cr1 0 .332 .25 |
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Cr2 .527 .830 .246 |
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P1 .079 .337 .827 |
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P2 .545 .838 .817 |
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P3 .954 .668 .154 |
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P4 .457 .837 .645 |
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S1 .725 .996 .371 |
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S2 .247 .491 .368 |
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S3 .29 .011 .625 |
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S4 .802 .491 .118 |
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S5 .288 .176 .867 |
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S6 .757 .682 .869 |
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S7 .739 .826 .115 |
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S8 .230 .684 .626 |
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S9 .261 .183 .372 |
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S10 .768 .668 .362 |
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S11 .786 .832 .627 |
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S12 .263 .688 .119 |
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IMA2008-069 |
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Ben Ali A, Awaleh M O, Leblanc M, Smiri L S, Maisonneuve V, Houlbert S |
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Comptes Rendus Chimie 7 (2004) 661-668 |
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Hydrothermal sythesis, crystal structure, thermal behaviour, IR and Raman spectroscopy |
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of Na3Y(CO3)3*6H2O |
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Locality: synthetic |
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_database_code_amcsd 0012241 |
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11.347 11.347 5.935 90 90 120 P6_3 |
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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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Y 1/3 2/3 .9023 .0157 .0157 .0184 .0078 0 0 |
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Na .3749 .3634 .6788 .028 .030 .025 .016 .006 .006 |
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C .120 .436 .676 |
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O1 .0313 .3382 .563 .023 .014 .028 .007 -.003 -.014 |
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O2 .2505 .4869 .634 .020 .021 .030 .010 -.006 -.006 |
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O3 .0914 .4929 .841 .025 .025 .021 .013 -.003 -.005 |
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O4 .158 .179 .555 .046 .044 .16 .025 -.023 -.018 |
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O5 .493 .216 .674 .030 .033 .025 .017 .002 -.006 |
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H1 .08 .10 .47 |
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H2 .12 .25 .52 |
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H3 .47 .20 .85 |
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H4 .54 .17 .68 |
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Cr Cu P2 Se6 |
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Bourdon X, Maisonneuve V, Cajipe V, Payen C, Fischer J |
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Journal of Alloys and Compounds 283 (1999) 122-127 |
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Copper sublattice ordering in layered Cu M P2 Se6 (M = In, Cr) |
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_cod_database_code 1004008 |
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_database_code_amcsd 0012821 |
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6.221 10.7702 6.935 90 107.09 90 C2 |
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atom x y z occ Biso |
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Cu1 .015 .663 .053 .5 4.8 |
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Cr1 0 .330 0 .3 |
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P1 .057 0 .168 1.3 |
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Se1 .747 .674 .253 1.60 |
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Se2 .260 .830 .249 1.60 |
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Se3 .757 .489 .747 1.60 |
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Cu In P2 Se6 |
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Bourdon X, Maisonneuve V, Cajipe V, Payen C, Fischer J |
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Journal of Alloys and Compounds 283 (1999) 122-127 |
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Copper sublattice ordering in layered Cu M P2 Se6 (M = In, Cr) |
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_cod_database_code 1004009 |
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_database_code_amcsd 0012822 |
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6.4024 6.4024 13.3580 90 90 120 P-3c1 |
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atom x y z occ Biso |
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Cu1 2/3 1/3 .25 .4 2. |
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Cu2 2/3 1/3 .338 .3 2. |
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In1 0 0 .25 .71 |
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P1 1/3 2/3 .1616 .04 |
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Se1 .3324 .3359 .1189 1.11 |
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H O4 P Sr |
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Ben Taher L, Smiri L, Laligant Y, Maisonneuve V |
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Journal of Solid State Chemistry 152 (2000) 428-434 |
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Investigation of th alkaline earth phosphates: synthesis and crystal |
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structure of a new strontium hydrogen phosphate form |
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_cod_database_code 1004016 |
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_database_code_amcsd 0013992 |
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8.131 9.258 18.084 90 90 90 Pbca |
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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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Sr1 .1244 .3213 .12536 .0048 .0108 .0156 -.0005 -.0007 -.0005 |
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Sr2 .86913 .6821 .11737 .0057 .0092 .0153 .0004 .0000 .0003 |
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P1 .2510 .0770 .0037 .0042 .0078 .0147 -.0001 .0016 .0013 |
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P2 .5227 .4790 .2057 .0033 .0077 .0147 .0002 .0002 -.0003 |
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O1 .0903 .1632 .0042 .0049 .0052 .0221 .0011 .0031 -.0029 |
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O2 .3450 .1013 .0754 .0099 .0154 .0179 -.0037 -.0084 .0041 |
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O3 .3472 .1074 -.0663 .0085 .0162 .0183 -.0013 .0039 .0019 |
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O4 .2064 -.0904 .0010 .0052 .0114 .0180 -.0004 -.0018 -.0049 |
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O5 .5793 .6203 .1718 .0107 .0123 .0246 -.0005 -.0024 .0102 |
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O6 .6754 .3742 .2213 .0070 .0109 .0247 .004 -.0047 .0002 |
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O7 .4484 .5019 .2828 .0100 .0144 .0178 -.0007 .0101 -.0043 |
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O8 .4140 .3877 .1571 .0186 .0167 -.0026 .0150 -.0022 -.0039 |
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H1 .097 .90 .009 .040 |
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H2 .76 .42 .215 .080 |
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| Download AMC data (View Text File)
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