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Mo4 O25 P6 Si2 |
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Leclaire A, Lamire M, Raveau B |
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Acta Crystallographica C44 (1988) 1181-1184 |
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Mo4 P6 Si2 O25, an Mo(^III^) phosphosilicate closely related to |
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V3 P5 Si O19: oxygen non-stoichiometry in silicophosphates. |
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_cod_database_code 1001363 |
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_database_code_amcsd 0010071 |
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14.705 14.705 7.3986 90 90 120 P-3 |
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atom x y z |
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Mo1 .33924 .34042 .07322 |
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Mo2 .32866 .32620 .42460 |
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P1 .4368 .1886 .2501 |
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P2 .0856 .2301 .2470 |
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P3 .1036 -.4776 .2550 |
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Si1 0 0 .2895 |
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Si2 1/3 -.3333 .2155 |
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Si3 -.3333 1/3 .2163 |
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O1 .2063 .3018 .2422 |
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O2 .2521 .2184 -.0920 |
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O3 .3646 .2369 .2390 |
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O4 .4747 .3786 -.0710 |
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O5 .4303 .4598 .2674 |
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O6 .3026 .4364 -.0762 |
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O7 .2326 .1891 -.4313 |
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O8 .4545 .3624 -.4115 |
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O9 .2897 .4122 -.417 |
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O10 .0691 .1177 .2098 |
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O11 0 0 .5 |
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O12 .4057 -.2155 .282 |
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O13 -.2852 .2638 .285 |
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O14 -.3333 1/3 .0007 |
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Na1.7 O50 P4 W14 |
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Lamire M, Labbe P, Goreaud M, Raveau B |
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Journal of Solid State Chemistry 66 (1987) 64-72 |
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Na(x) P4 W14 O50: The sodium m=7 member of the monophosphate tungsten |
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bronze series A(x)(P O2)4 (W O3)2m |
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_cod_database_code 1001627 |
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_database_code_amcsd 0013590 |
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6.575 5.304 27.07599 89.62 96.17 90.26 A-1 |
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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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W1 0 0 0 .0040 .00430 .00407 -.00014 .00097 .00040 |
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W2 .69794 .49951 .054470 .00361 .00384 .00346 -.00008 .00066 .00016 |
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W3 .39771 .99115 .111450 .00340 .00389 .00318 .00016 .00042 .00012 |
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W4 .08628 .49454 .167630 .00375 .00387 .00265 .00005 .00071 .00007 |
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P1 .2046 .5227 .29191 |
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O1 .192 -.006 .0597 |
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O2 .5 .5 0 |
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O3 .8225 .7865 .0327 |
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O4 .8654 .2810 .0237 |
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O5 .5209 .7085 .0927 |
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O6 .5639 .2117 .0834 |
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O7 .901 .495 .1139 |
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O8 .2204 .7774 .1523 |
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O9 .2654 .2775 .1459 |
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O10 .585 0 .1779 |
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O11 .25 .490 .2380 |
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O12 .1208 .792 .2965 |
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O13 .055 .316 .3042 |
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Na1 .330 .012 .2368 .425 |
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Ba2 O112 P8 W32 |
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Lamire M, Labbe P, Goreaud M, Raveau B |
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Journal of Solid State Chemistry 71 (1987) 342-348 |
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Ba2 P8 W32 O112: Structural study in comparison with the K and Rb |
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diphosphate tungsten bronzes with hexagonal tunnels |
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_cod_database_code 1001724 |
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_database_code_amcsd 0013605 |
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17.90999 7.480 17.06059 90 114.739 90 A2/m |
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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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Ba1 .5 .5 .5 .071 .008 .016 0 .022 0 |
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W1 .25747 .2491 .35697 .0038 .0040 .0040 -.0016 .0026 .0001 |
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W2 .35709 .2477 .60271 .0035 .0099 .0029 -.001 .0021 -.0013 |
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W3 .14923 .2509 .61269 .0054 .0027 .0058 -.001 .0037 .0004 |
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W4 .05191 .2505 .37058 .0067 .0023 .0076 .000 .0048 .0000 |
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P1 .4346 .2020 .3261 |
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O1 .2605 .230 .6063 |
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O2 .271 0 .357 |
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O3 .279 .5 .383 |
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O4 .055 .5 .361 |
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O5 .056 0 .381 |
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O6 .432 0 .342 |
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O7 .4791 .224 .1151 |
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O8 .1638 .234 .3700 |
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O9 .326 .228 .490 |
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O10 .169 0 .131 |
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O11 .150 .5 .110 |
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O12 .362 .5 .602 |
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O13 .382 0 .626 |
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O14 .0525 .233 .1247 |
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O15 .3772 .285 .362 |
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O16 .2152 .277 .243 |
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O17 .413 .216 .236 |
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O18 .103 .281 .495 |
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O19 0 .25 .25 |
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O40 P8 Rb0.5 W8 |
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Lamire M, Labbe P, Goreaud M, Raveau B |
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Revue de Chimie Minerale 24 (1987) 153-164 |
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Rbx P8 W8 O40: Un bronze-diphosphate de tungstene a tunnels octagonaux. |
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Etude structurale comparee avec Cs P8 W8 O40 |
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_cod_database_code 1001746 |
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_database_code_amcsd 0015401 |
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13.007 12.325 5.2829 90 90 90 Ccm2_1 |
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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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Rb1 .046 .467 .275 .0625 .016 .09 .03 -.020 -.008 -.004 |
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W1 .40262 .35031 .25 .00624 .00492 .00590 -.00015 .00004 -.0003 |
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P1 .2707 .1196 .255 .0075 .0057 .0163 -.0003 -.004 .003 |
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O1 .0097 .1685 .490 .013 .010 .008 -.001 -.002 -.001 |
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O2 .2224 .1314 .532 .009 .014 .011 .002 .004 -.001 |
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O3 .1950 .1345 .059 .012 .017 .017 .001 -.005 .001 |
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O4 .4182 .5 .240 .009 .005 .002 0 -.002 0 |
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O5 .3662 .1890 .232 .010 .0059 .002 -.0024 .001 .000 |
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O6 .3170 0 .262 .011 .005 .015 0 -.012 0 |
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O49 W18 |
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Lamire M, Labbe P, Goreaud M, Raveau B |
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Revue de Chimie Minerale 24 (1987) 369-381 |
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Refinement et nouvelle analyse de la structure de W18 O49 |
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_cod_database_code 1001678 |
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_database_code_amcsd 0015402 |
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18.31819 3.7828 14.0280 90 115.2110 90 P2/m |
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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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W1 .07308 .5 .00189 .0034 .0022 .0041 0 .0025 0 |
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W2 .08618 .5 .28606 .0045 .0014 .0056 0 .0034 0 |
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W3 .12754 .5 .75940 .0046 .0085 .0051 0 .0035 0 |
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W4 .22145 .5 .57287 .0057 .0028 .0051 0 .0034 0 |
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W5 .25608 .5 .00971 .0036 .0016 .0047 0 .0025 0 |
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W6 .27585 .5 .25143 .0046 .0076 .0046 0 .0029 0 |
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W7 .35843 .5 .86371 .0039 .0029 .0042 0 .0026 0 |
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W8 .41397 .5 .53803 .0056 .0028 .0062 0 .0037 0 |
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W9 .45266 .5 .16795 .0040 .0032 .0051 0 .0025 0 |
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O1 .077 0 .004 |
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O2 .081 0 .277 |
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O3 .130 0 .768 |
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O4 .220 0 .579 |
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O5 .256 0 .011 |
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O6 .276 0 .246 |
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O7 .362 0 .875 |
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O8 .413 0 .538 |
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O9 .449 0 .165 |
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O10 .017 .5 .711 |
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O11 .036 .5 .121 |
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O12 .136 .5 .910 |
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O13 .143 .5 .431 |
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O14 .147 .5 .641 |
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O15 .195 .5 .097 |
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O16 .188 .5 .278 |
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O17 .243 .5 .859 |
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O18 .306 .5 .725 |
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O19 .311 .5 .544 |
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O20 .340 .5 .165 |
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O21 .351 .5 .385 |
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O22 .371 .5 .016 |
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O23 .465 .5 .879 |
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O24 .514 .5 .310 |
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O25 .5 .5 .5 |
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| Download AMC data (View Text File)
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