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Rhodostannite |
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Jumas J C, Philippot E, Maurin M |
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Acta Crystallographica B35 (1979) 2195-2197 |
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Structure du rhodostannite synthetique |
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Locality: synthetic |
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_database_code_amcsd 0009688 |
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7.305 7.305 10.330 90 90 90 I4_1/a |
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atom x y z occ Biso 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 0 1.84 .0237 .0237 .0200 0 0 0 |
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Fe 0 .25 .625 .25 .94 .0138 .0105 .0105 -.0001 .0001 -.0023 |
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Sn 0 .25 .625 .75 .94 .0138 .0105 .0105 -.0001 .0001 -.0023 |
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S .2593 .0001 .1296 .99 .0114 .0146 .0108 -.0002 .0020 .0004 |
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Weissbergite |
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Rey N, Jumas J C, Olivier-Fourcade J, Philippot E |
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Acta Crystallographica C39 (1983) 971-974 |
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Sur les composes III-V-VI: Etude structurale du |
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disulfure d'antimoine et de thallium, TlSbS2 |
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Locality: synthetic |
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_database_code_amcsd 0009980 |
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6.123 6.293 11.838 101.34 98.39 103.21 P-1 |
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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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Tl1 .5616 .3084 .6619 2.21 .0286 .032 .031 .012 .012 .009 |
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Tl2 .1056 .2846 .9180 2.25 .0309 .033 .0268 .012 .011 .004 |
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Sb1 .5961 .2163 .1583 1.84 .026 .028 .023 .015 .009 .007 |
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Sb2 .0359 .2156 .4070 1.90 .024 .025 .021 .004 .008 .003 |
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S1 .412 .820 .0956 1.7 .019 .025 .020 .005 .008 .006 |
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S2 .001 .222 .1769 1.5 .022 .023 .020 .010 .010 .009 |
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S3 .632 .221 .3806 1.8 .026 .030 .016 .016 .012 .004 |
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S4 .985 .811 .3603 1.6 .021 .036 .015 .015 .008 .009 |
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I Sb Se |
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Ibanez A, Jumas J, Olivier-Fourcade J, Philippot E, Maurin M |
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Journal of Solid State Chemistry 48 (1983) 272-283 |
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Sur les Chalcogeno-iodures d'antimoine SbXI (X=S,Se,Te):Structures et |
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spectroscopie Moessbauer de ^121^Sb |
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_cod_database_code 1008204 |
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_database_code_amcsd 0016140 |
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8.698 4.127 10.412 90 90 90 Pnma |
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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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Sb1 .1183 .25 .1285 .0221 .0256 .0263 0 -.0015 0 |
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Se1 .8346 .25 .0482 .0147 .0166 .0162 0 .0008 0 |
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I1 .5156 .25 .8265 .0264 .0184 .0193 0 -.0010 0 |
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I Sb Te |
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Ibanez A, Jumas J, Olivier-Fourcade J, Philippot E, Maurin M |
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Journal of Solid State Chemistry 48 (1983) 272-283 |
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Sur les Chalcogeno-iodures d'antimoine SbXI (X=S,Se,Te):Structures et |
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spectroscopie Moessbauer de ^121^Sb |
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_cod_database_code 1008205 |
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_database_code_amcsd 0016141 |
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7.570 7.159 4.228 107.22 106.18 77.19 P-1 |
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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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Sb1 .75337 .51507 .1342 .0135 .0272 .0216 -.0002 .0017 .0042 |
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Te1 .09445 .25352 .1740 .0182 .0161 .0180 -.0004 .0025 .0026 |
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I1 .63647 .20036 .4184 .0213 .0198 .0196 -.0013 .0027 .0029 |
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I3 S2 Sb Sn2 |
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Ibanez A, Jumas J, Olivier-Fourcade J, Philippot E |
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Journal of Solid State Chemistry 55 (1984) 83-91 |
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Mise en evidence d'un desordre statistique dans les structures |
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chalcogenoiodures d'etain et d'antimoine. |
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_cod_database_code 1008277 |
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_database_code_amcsd 0016199 |
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4.275 14.059 16.465 90 90 90 Cmcm |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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I1 0 .4408 .12192 .0190 .0195 .0172 0 0 -.0025 |
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I2 0 .1444 .25 .0163 .0185 .0176 0 0 0 |
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S1 0 .7283 .0797 .024 .010 .010 0 0 .001 |
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Sn1 0 .1334 .0182 .0298 .0332 .0273 0 0 -.0002 |
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Sb1 0 .7985 .2337 .5 .028 .031 .030 0 0 -.006 |
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I3 Sb Se2 Sn2 |
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Ibanez A, Jumas J, Olivier-Fourcade J, Philippot E |
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Journal of Solid State Chemistry 55 (1984) 83-91 |
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Mise en evidence d'un desordre statistique dans les structures |
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chalcogenoiodures d'etain et d'antimoine. |
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_cod_database_code 1008278 |
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_database_code_amcsd 0016200 |
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4.298 14.085 17.222 90 90 90 Cmcm |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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I1 0 .44217 .12365 .0217 .0287 .0260 0 0 -.0081 |
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I2 0 .1480 .25 .0195 .0297 .0233 0 0 0 |
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Se1 0 .7235 .08265 .0223 .0224 .0134 0 0 -.001 |
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Sn1 0 .1289 .012330 .0301 .0479 .0339 0 0 .006 |
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Sb1 0 .8007 .2339 .5 .035 .046 .037 0 0 -.019 |
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I5 Sb Se2 Sn3 |
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Ibanez A, Jumas J, Olivier-Fourcade J, Philippot E |
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Journal of Solid State Chemistry 55 (1984) 83-91 |
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Mise en evidence d'un desordre statistique dans les structures |
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chalcogenoiodures d'etain et d'antimoine. |
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_cod_database_code 1008279 |
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_database_code_amcsd 0016201 |
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14.166 4.342 12.149 90 96.03 90 C2/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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I1 .0399 0 .3309 .0265 .0272 .0232 0 .003 0 |
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I2 .3043 0 .1335 .0289 .0242 .0271 0 .012 0 |
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I3 0 0 0 .0221 .0228 .0266 0 -.003 0 |
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Se1 .2353 0 .6206 .0179 .0275 .0169 0 .007 0 |
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Sn1 .3673 0 .4811 .0407 .0387 .0346 0 .014 0 |
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Sn2 .3480 0 .8355 .25 .054 .045 .053 0 -.002 0 |
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Sb1 .3480 0 .8355 .25 .054 .045 .053 0 -.002 0 |
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Sn3 .3542 0 .8893 .25 .057 .045 .049 0 .007 0 |
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Sb2 .3542 0 .8893 .25 .057 .045 .049 0 .007 0 |
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I3 S2 Sb Sn2 |
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Ibanez A, Jumas J, Olivier-Fourcade J, Philippot E |
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Journal of Solid State Chemistry 55 (1984) 833-913 |
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Mise en evidence d'un desordre statistique dans les structures |
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chalcogenoiodures d'etain et d'antimoine. |
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_cod_database_code 1008276 |
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_database_code_amcsd 0016198 |
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4.250 13.990 16.380 90 90 90 Cmcm |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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I1 0 .44081 .12205 .0136 .0150 .0119 0 0 -.0032 |
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I2 0 .14389 .25 .0123 .0120 .0125 0 0 0 |
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S1 0 .7275 .0803 .0195 .0071 .0078 0 0 .001 |
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Sn1 0 .13299 .01789 .0221 .0298 .0185 0 0 -.0042 |
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Sb1 0 .7987 .23409 .5 .0187 .0215 .027 0 0 -.0084 |
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| Download AMC data (View Text File)
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As Ga O4 |
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Philippot E, Armand P, Yot P, Cambon O, Goiffon A, McIntyre G, Bordet P |
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Journal of Solid State Chemistry 146 (1999) 114-123 |
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Neutron and x-ray structure refinements between 15 and 1083 K of |
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piezoelectric gallium arsenate, Ga As O4: temperature and pressure |
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behavior compared with other alpha-quartz materials |
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_cod_database_code 1009000 |
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_database_code_amcsd 0016862 |
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4.9940 4.9940 11.3871 90 90 120 P3_121 |
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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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Ga1 .44991 0 1/3 .00202 .00198 .00201 0 0 -.00009 |
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As1 .44800 0 .8333 .00210 .00177 .00183 0 0 -.00009 |
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O1 .39848 .31858 .38307 .00552 .00395 .00432 .00311 -.00111 -.00138 |
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O2 .39674 .29595 .87152 .00574 .00372 .00446 .00327 -.00089 -.00109 |
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| Download AMC data (View Text File)
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As Ga O4 |
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Philippot E, Armand P, Yot P, Cambon O, Goiffon A, McIntyre G, Bordet P |
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Journal of Solid State Chemistry 146 (1999) 114-123 |
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Neutron and x-ray structure refinements between 15 and 1083 K of |
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piezoelectric gallium arsenate, Ga As O4: temperature and pressure |
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behavior compared with other alpha-quartz materials |
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_cod_database_code 1009001 |
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_database_code_amcsd 0016863 |
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4.9942 4.9942 11.3816 90 90 120 P3_121 |
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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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Ga1 .45092 0 1/3 .00865 .00740 .00711 0 0 -.00068 |
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As1 .44933 0 .8333 .00807 .00641 .00656 0 0 -.00048 |
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O1 .39910 .31683 .38363 .01784 .01311 .01145 .01064 -.00459 -.00442 |
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O2 .39816 .29426 .87213 .01810 .01255 .01202 .01073 -.00471 -.00424 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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As Ga O4 |
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Philippot E, Armand P, Yot P, Cambon O, Goiffon A, McIntyre G, Bordet P |
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Journal of Solid State Chemistry 146 (1999) 114-123 |
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Neutron and x-ray structure refinements between 15 and 1083 K of |
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piezoelectric gallium arsenate, Ga As O4: temperature and pressure |
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behavior compared with other alpha-quartz materials |
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_cod_database_code 1009002 |
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_database_code_amcsd 0016864 |
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4.997 4.997 11.379 90 90 120 P3_121 |
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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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Ga1 .4516 0 1/3 .0083 .0090 .0081 0 0 -.0010 |
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As1 .4494 0 .8333 .0096 .0062 .0068 0 0 .0003 |
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O1 .3997 .3181 .3838 .023 .014 .011 .018 .006 .006 |
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O2 .398 .2929 .8716 .015 .016 .014 .009 -.004 -.006 |
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| Download AMC data (View Text File)
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As Ga O4 |
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Philippot E, Armand P, Yot P, Cambon O, Goiffon A, McIntyre G, Bordet P |
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Journal of Solid State Chemistry 146 (1999) 114-123 |
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Neutron and x-ray structure refinements between 15 and 1083 K of |
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piezoelectric gallium arsenate, Ga As O4: temperature and pressure |
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behavior compared with other alpha-quartz materials |
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_cod_database_code 1009003 |
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_database_code_amcsd 0016865 |
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5.007 5.007 11.391 90 90 120 P3_121 |
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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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Ga1 .4523 0 1/3 .010 .011 .0099 0 0 -.0019 |
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As1 .4496 0 .8333 .0123 .0083 .0079 0 0 .0007 |
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O1 .400 .315 .3838 .019 .018 .016 .016 .004 .004 |
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O2 .400 .293 .8720 .030 .025 .015 .019 -.008 -.008 |
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| Download AMC data (View Text File)
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As Ga O4 |
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Philippot E, Armand P, Yot P, Cambon O, Goiffon A, McIntyre G, Bordet P |
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Journal of Solid State Chemistry 146 (1999) 114-123 |
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Neutron and x-ray structure refinements between 15 and 1083 K of |
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piezoelectric gallium arsenate, Ga As O4: temperature and pressure |
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behavior compared with other alpha-quartz materials |
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_cod_database_code 1009004 |
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_database_code_amcsd 0016866 |
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5.011 5.011 11.388 90 90 120 P3_121 |
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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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Ga1 .4521 0 1/3 .014 .013 .013 0 0 -.0017 |
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As1 .4505 0 .8333 .0150 .0112 .0109 .0 0 .0002 |
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O1 .400 .317 .3842 .030 .026 .019 .023 .007 .006 |
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O2 .400 .291 .8725 .030 .020 .021 .019 -.007 -.009 |
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| Download AMC data (View Text File)
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As Ga O4 |
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Philippot E, Armand P, Yot P, Cambon O, Goiffon A, McIntyre G, Bordet P |
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Journal of Solid State Chemistry 146 (1999) 114-123 |
|
Neutron and x-ray structure refinements between 15 and 1083 K of |
|
piezoelectric gallium arsenate, Ga As O4: temperature and pressure |
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behavior compared with other alpha-quartz materials |
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_cod_database_code 1009005 |
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_database_code_amcsd 0016867 |
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5.017 5.017 11.401 90 90 120 P3_121 |
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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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Ga1 .4526 0 1/3 .018 .016 .015 0 0 -.0016 |
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As1 .4516 0 .8333 .0172 .0138 .0134 0 0 -.0002 |
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O1 .401 .315 .3844 .040 .027 .021 .027 .008 .010 |
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O2 .400 .291 .8724 .038 .031 .022 .024 -.009 -.011 |
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| Download AMC data (View Text File)
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As Ga O4 |
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Philippot E, Armand P, Yot P, Cambon O, Goiffon A, McIntyre G, Bordet P |
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Journal of Solid State Chemistry 146 (1999) 114-123 |
|
Neutron and x-ray structure refinements between 15 and 1083 K of |
|
piezoelectric gallium arsenate, Ga As O4: temperature and pressure |
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behavior compared with other alpha-quartz materials |
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_cod_database_code 1009006 |
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_database_code_amcsd 0016868 |
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5.025 5.025 11.408 90 90 120 P3_121 |
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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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Ga1 .4533 0 1/3 .021 .019 .018 0 0 -.0012 |
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As1 .4522 0 .8333 .0208 .0163 .0158 0 0 -.0006 |
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O1 .401 .315 .3846 .046 .035 .025 .033 .010 .011 |
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O2 .402 .290 .8730 .042 .034 .026 .027 -.010 -.011 |
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| Download AMC data (View Text File)
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As Ga O4 |
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Philippot E, Armand P, Yot P, Cambon O, Goiffon A, McIntyre G, Bordet P |
| |
Journal of Solid State Chemistry 146 (1999) 114-123 |
|
Neutron and x-ray structure refinements between 15 and 1083 K of |
|
piezoelectric gallium arsenate, Ga As O4: temperature and pressure |
|
behavior compared with other alpha-quartz materials |
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_cod_database_code 1009007 |
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_database_code_amcsd 0016869 |
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5.033 5.033 11.411 90 90 120 P3_121 |
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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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Ga1 .4537 0 1/3 .025 .02 .021 0 0 -.0018 |
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As1 .4531 0 .8333 .0233 .0188 .0183 0 0 -.0005 |
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O1 .401 .314 .3849 .052 .039 .027 .034 .012 .013 |
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O2 .402 .291 .8732 .051 .039 .030 .032 -.011 -.012 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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As Ga O4 |
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Philippot E, Armand P, Yot P, Cambon O, Goiffon A, McIntyre G, Bordet P |
| |
Journal of Solid State Chemistry 146 (1999) 114-123 |
|
Neutron and x-ray structure refinements between 15 and 1083 K of |
|
piezoelectric gallium arsenate, Ga As O4: temperature and pressure |
|
behavior compared with other alpha-quartz materials |
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_cod_database_code 1009008 |
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_database_code_amcsd 0016870 |
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5.040 5.040 11.408 90 90 120 P3_121 |
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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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Ga1 .4542 0 1/3 .029 .02 .023 0 0 -.0021 |
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As1 .4539 0 .8333 .0262 .0217 .0211 0 0 -.0006 |
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O1 .401 .312 .3851 .060 .044 .035 .041 .012 .014 |
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O2 .402 .289 .8736 .059 .042 .034 .036 -.012 -.012 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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As Ga O4 |
| |
Philippot E, Armand P, Yot P, Cambon O, Goiffon A, McIntyre G, Bordet P |
| |
Journal of Solid State Chemistry 146 (1999) 114-123 |
|
Neutron and x-ray structure refinements between 15 and 1083 K of |
|
piezoelectric gallium arsenate, Ga As O4: temperature and pressure |
|
behavior compared with other alpha-quartz materials |
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_cod_database_code 1009009 |
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_database_code_amcsd 0016871 |
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5.051 5.051 11.421 90 90 120 P3_121 |
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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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Ga1 .4548 0 1/3 .032 .03 .026 0 0 -.0023 |
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As1 .4549 0 .8333 .0287 .023 .0233 0 0 -.0003 |
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O1 .400 .309 .3853 .0069 .048 .040 .047 .012 .017 |
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O2 .404 .289 .8736 .059 .046 .040 .035 -.014 -.014 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
|
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As Ga O4 |
| |
Philippot E, Armand P, Yot P, Cambon O, Goiffon A, McIntyre G, Bordet P |
| |
Journal of Solid State Chemistry 146 (1999) 114-123 |
|
Neutron and x-ray structure refinements between 15 and 1083 K of |
|
piezoelectric gallium arsenate, Ga As O4: temperature and pressure |
|
behavior compared with other alpha-quartz materials |
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_cod_database_code 1009010 |
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_database_code_amcsd 0016872 |
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5.059 5.059 11.424 90 90 120 P3_121 |
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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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Ga1 .4557 0 1/3 .03 .03 .029 0 0 -.0030 |
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As1 .4554 0 .8333 .0334 .025 .0264 0 0 -.0004 |
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O1 .403 .311 .3856 .081 .052 .045 .053 .013 .017 |
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O2 .404 .286 .8745 .068 .051 .045 .039 -.015 -.015 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Sb2 Se2 Te |
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Andriamihaja A, Ibanez A, Jumas J, Olivier-Fourcade J, Philippot E |
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Revue de Chimie Minerale 22 (1985) 357-368 |
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Evolution structurale de la solution solide Sb2 Te(3-x) Se(x) (O < X < 2) |
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dans le systeme Sb2 Te3 - Sb2 Se3 |
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_cod_database_code 1008844 |
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_database_code_amcsd 0016711 |
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4.112 4.112 29.495 90 90 120 R3m |
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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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Sb1 0 0 .39 .010 .010 .024 .005 0 0 |
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Sb2 0 0 .5988 .009 .009 .024 .005 0 0 |
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Te1 0 0 .2080 .008 .008 .029 .004 0 0 |
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Se1 0 0 .7790 .004 .004 .017 .002 0 0 |
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Se2 0 0 -.0049 .007 .007 .017 .003 0 0 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
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