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Na3H2As3O10 |
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Driss A, Jouini T |
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Acta Crystallographica C46 (1990) 1185-1188 |
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Structure d'un triarseniate: Na3H2As3O10 |
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_database_code_amcsd 0010148 |
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10.860 9.323 18.270 90 103.00 90 C2/c |
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atom x y z Biso |
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As1 .1422 .1761 .1004 1.2 |
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As2 .2798 .0140 .2457 1.15 |
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As3 .4291 .1718 .3979 1.16 |
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Na1 .1557 .3537 .4200 1.5 |
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Na2 .8477 .0152 .5887 1.4 |
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Na3 0 .2071 .25 1.6 |
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Na4 0 .825 .25 2.2 |
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O1 .152 .022 .0505 1.5 |
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O2 .0020 .181 .1202 1.6 |
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O3 .1852 .316 .0591 1.4 |
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O4 .2597 .157 .1810 1.0 |
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O5 .332 -.125 .2100 1.5 |
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O6 .154 .005 .2815 1.7 |
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O7 .4052 .093 .3090 1.4 |
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O8 .555 .072 .4400 1.2 |
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O9 .3100 .160 .4393 1.3 |
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O10 .473 .339 .3859 1.5 |
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H1 .13 -.03 .07 |
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H2 .59 .14 .48 |
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Na3Cr2(AsO4)3 |
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Bouzemi B, Boughzala H, Jouini T |
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Acta Crystallographica E58 (2002) i107-i118 |
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Na3Cr2(AsO4)3: trisodium dichromium(III) triarsenate |
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Note: garnet structure |
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_database_code_amcsd 0010392 |
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12.188 12.188 12.188 90 90 90 Ia3d |
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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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Na .125 0 .25 .0112 .0064 .0136 .0136 .000 .000 .0011 |
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Cr .25 .25 .25 .0034 .0034 .0034 .0034 .00020 .00020 .00020 |
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As .375 0 .25 .00339 .0037 .0032 .0032 .000 .000 .000 |
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O .28819 -.09814 .29743 .0064 .0076 .0046 .0071 -.0016 .0017 .0002 |
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K2MoO2P2O7 |
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Zid M F, Driss A, Jouini T |
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Acta Crystallographica E59 (2003) i65-i67 |
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K2MoO2P2O7 |
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_database_code_amcsd 0010407 |
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13.7780 8.0216 15.5950 90 98.440 90 C2/c |
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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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K1 .14457 .1634 .23762 .0213 .0177 .0265 .0192 .0038 .0012 -.0034 |
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K2 .14160 .9143 .47828 .0239 .0246 .0214 .0253 .0026 .0025 .0010 |
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Mo -.11455 .64360 .36439 .01090 .0108 .0122 .0096 .0019 .0011 .0014 |
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P1 .12930 .5808 .34432 .0116 .0115 .0134 .0101 -.0007 .0020 .0011 |
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P2 .03780 .3007 .42395 .0112 .0122 .0117 .0097 .0018 .0015 .0006 |
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O1 .2230 .6669 .3785 .0171 .012 .020 .019 .001 .001 -.002 |
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O2 .0373 .6790 .3552 .0141 .013 .013 .017 -.002 .004 .001 |
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O3 .0270 .1476 .3689 .0200 .023 .018 .017 .003 -.003 -.005 |
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O4 -.0534 .4096 .4174 .0158 .016 .013 .019 .003 .005 .003 |
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O5 .0724 .2488 .5193 .0149 .020 .012 .012 .004 .000 .002 |
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O6 .1279 .4102 .3988 .0172 .013 .021 .018 .004 .004 .011 |
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O7 .1239 .5159 .2495 .0178 .025 .018 .011 .002 .003 -.001 |
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O8 -.2245 .5729 .3882 .0216 .014 .029 .023 -.001 .005 .004 |
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O9 -.1462 .8279 .3135 .0196 .028 .015 .016 .006 .000 .004 |
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K3Bi2(AsO4)3 |
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Falah C, Boughzala H, Jouini T |
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Acta Crystallographica E60 (2004) i74-i76 |
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Tripotassium dibismuth(III) tris[arsenate(V)], K3Bi2(AsO4)3 |
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_database_code_amcsd 0010432 |
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14.030 13.773 7.009 90 114.71 90 C2/c |
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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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K1 .5 .4809 .25 .0146 .0120 .012 .018 0 .0050 0 |
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K2 .5 .2230 .25 .0166 .0120 .015 .020 0 .0040 0 |
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K3 .5 0 .5 .0223 .0170 .027 .019 -.005 .0040 .008 |
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Bi .26492 .35529 .33414 .00740 .0066 .0060 .0089 -.00010 .00260 .0008 |
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As2 .74345 .39168 .64105 .0059 .0062 .0035 .0072 -.0002 .0022 -.0001 |
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As1 .5 .25740 .75 .0064 .0049 .0067 .0059 0 .0005 0 |
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O1 .4261 .1874 .8290 .017 .012 .018 .017 -.008 .004 -.001 |
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O2 .5689 .3355 .9520 .012 .010 .012 .013 -.002 .002 -.008 |
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O3 .8531 .4344 .6360 .017 .012 .018 .019 -.003 .005 .003 |
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O4 .6725 .3346 .4080 .012 .021 .007 .011 -.004 .009 -.001 |
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O5 .6681 .4806 .6740 .0110 .010 .006 .020 .004 .008 -.003 |
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O6 .7713 .3113 .8450 .0120 .017 .006 .008 .001 .002 .006 |
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(Na0.38,Ca0.31)MgFe2P3O12 |
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Zid M F, Driss A, Jouini T |
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Acta Crystallographica E61 (2005) i46-i48 |
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(Na0.38,Ca0.31)MgFe2P3O12 |
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_database_code_amcsd 0010441 |
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11.852 12.4580 6.3861 90 113.840 90 C2/c |
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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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Na 0 .9968 .25 .376 .026 .010 .041 .020 0 -.001 0 |
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Ca .5 0 .5 .312 .027 .027 .012 .025 .003 -.007 .0005 |
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Mg .5 .7644 .25 .0107 .0101 .0120 .0115 0 .0061 0 |
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Fe .78242 .84605 .86970 0091 .0104 .0086 .0086 .0004 .0043 .0009 |
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P1 .74054 .60906 .6295 .0049 .0074 .0038 .0039 .0000 .0028 -.0002 |
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P2 .5 .78720 .75 .0044 .0044 .0058 .0027 0 .0010 0 |
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O1 .8322 .8350 .6045 .0079 .013 .006 .0040 .0020 .0032 .0012 |
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O2 .3769 .8977 .1809 .0123 .009 .014 .015 -.0013 .0060 .0013 |
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O3 .7763 .8217 .1820 .0070 .010 .008 .004 -.0002 .0029 -.0005 |
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O4 .8174 .9980 .8791 .0102 .016 .004 .012 -.0002 .0069 -.0014 |
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O5 .6013 .8635 .7462 .0096 .006 .009 .013 -.0011 .0023 .0032 |
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O6 .9561 .7834 .0323 .0079 .007 .010 .005 .0000 .0009 .0028 |
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K3Fe3(AsO4)4 |
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Ouerfelli N, Zid M F, Jouini T |
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Acta Crystallographica E61 (2005) i67-i69 |
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Compose a charpente bidimensionnelle K3Fe3(AsO4)4 |
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_database_code_amcsd 0010443 |
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10.898 21.521 6.623 90 90 90 Cmca |
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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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K1 0 .1642 -.4271 .614 .0422 .060 .041 .025 0 0 -.002 |
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K2 .2269 .2700 .122 .193 .0422 .060 .041 .025 0 0 -.002 |
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K3 -.087 .1860 -.420 .087 .052 .050 .045 .062 -.017 .011 .005 |
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K4 .25 .2715 .25 .199 .052 .050 .045 .062 -.017 .011 .005 |
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K5 .25 .25 0 .091 .052 .050 .045 .062 -.017 .011 .005 |
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K6 0 -.047 .478 .036 .052 .050 .045 .062 -.017 .011 .005 |
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Fe1 0 0 0 .0177 .0156 .0207 .0168 0 0 .0000 |
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Fe2 .25 .08971 .2500 .0141 .0131 .0160 .0131 0 -.0008 0 |
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As1 0 .15191 .07045 .0132 .0096 .0118 .0182 0 0 .0034 |
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As2 .25 -.04411 .2500 .0086 .0106 .0097 .0056 0 -.0005 0 |
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O1 0 .0870 -.0712 .0142 .013 .014 .015 0 0 .003 |
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O2 .1377 .0110 .2059 .0100 .009 .009 .012 .002 -.002 -.001 |
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O3 .2142 -.0882 .4490 .0127 .015 .014 .009 -.006 -.002 .004 |
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O4 .1235 .1506 .2261 .0174 .012 .019 .022 .001 -.003 -.005 |
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O5 0 .2139 -.0758 .031 .038 .020 .036 0 0 .018 |
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