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Na2W2O7 |
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Range K J, Haase H |
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Acta Crystallographica C46 (1990) 317-318 |
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Na2W2O7(II), a high-pressure phase of disodium ditungstate(VI) |
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_database_code_amcsd 0010100 |
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3.7777 26.6067 5.4290 90 90 90 Cmc2_1 |
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atom x y z Biso |
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W1 0 .44470 .10218 .32 |
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W2 0 .34024 .5745 .43 |
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Na1 .5 .5508 .1047 1.3 |
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Na2 .5 .2874 .0523 2.5 |
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O1 0 .3936 .9047 2.9 |
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O2 0 .5076 .3457 1.9 |
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O3 0 .4084 .3942 1.2 |
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O4 .5 .3517 .6240 1.9 |
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O5 0 .2910 .7847 1.4 |
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O6 .5 .4525 .1483 1.7 |
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O7 0 .3059 .3062 2.3 |
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Tm2S3 |
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Range K J, Drexler H, Gietl A, Klement U, Lange K G |
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Acta Crystallographica C46 (1990) 487-488 |
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Tm2S3-V, a corundum-type modification of thulium sesquisulfide |
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_database_code_amcsd 0010113 |
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6.768 6.768 18.236 90 90 120 R-3c |
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atom x y z Uiso |
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Tm 0 0 .35007 .00764 |
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S .3026 0 .25 .00975 |
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(NH4)2Mo3O10 |
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Range K J, Fassler A |
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Acta Crystallographica C46 (1990) 488-489 |
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Diammonium trimolybdate(VI), (NH4)2Mo3O10 |
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_database_code_amcsd 0010114 |
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13.182 7.589 9.286 90 90 90 Pnma |
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atom x y z Uiso |
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Mo1 .40981 .0035 .35737 .0088 |
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Mo2 .11083 .75 .1502 .0089 |
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O1 .0964 .75 .3343 .0167 |
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O2 .2393 .75 .119 .0177 |
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O3 .0761 .75 .9103 .0132 |
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O4 .0751 .511 .0979 .0147 |
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O5 .2199 .494 .8719 .0180 |
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O6 .0646 .25 .869 .0129 |
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O7 .0701 .5423 .6773 .0187 |
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N1 .420 .75 .965 .0316 |
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N2 .246 .25 .107 .0307 |
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Mg2PtSi |
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Range K J, Rau F, Klement U |
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Acta Crystallographica C46 (1990) 1092-1093 |
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Dimagnesium platinum silicon |
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_database_code_amcsd 0010146 |
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4.254 4.254 8.542 90 90 120 P6_3/mmc |
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atom x y z Uiso |
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Mg 1/3 2/3 .5782 .038 |
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Pt 1/3 2/3 .25 .0085 |
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Si 0 0 .25 .019 |
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ErVO4 |
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Range K J, Meister H |
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Acta Crystallographica C46 (1990) 1093-1094 |
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ErVO4-II, a scheelite-type high-pressure modification of |
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erbium orthovanadate |
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_database_code_amcsd 0010147 |
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5.003 5.003 11.143 90 90 90 *I4_1/a |
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0 .25 .125 |
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atom x y z Uiso |
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Er 0 .25 .625 .0030 |
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V 0 .25 .125 .0035 |
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O .1460 .5050 .2054 .0051 |
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(NH4)Mo3O9 |
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Range K J, Bauer K, Klement U |
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Acta Crystallographica C46 (1990) 2007-2009 |
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(NH4)Mo3O9, an ammonium molybdenum bronze |
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_database_code_amcsd 0010198 |
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14.819 7.708 6.386 90 93.56 90 C2/m |
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atom x y z Uiso |
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Mo1 .05781 .2613 .2702 .0075 |
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Mo2 .1178 0 .6444 .0091 |
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O1 0 .258 0 .0090 |
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O2 .0805 .237 .5916 .0100 |
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O3 .1666 .259 .214 .0140 |
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O4 .0386 0 .309 .0050 |
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O5 .2183 0 .529 .0140 |
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O6 .1454 0 .904 .0160 |
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O7 .5385 0 .296 .0130 |
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N .3149 0 .177 .0150 |
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AlMg3Pt2 |
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Range K J, Rau F, Klement U |
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Acta Crystallographica C46 (1990) 2454-2455 |
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Aluminium trimagnesium diplatinum |
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_database_code_amcsd 0010244 |
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11.802 11.802 11.802 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z Uiso |
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Al .5 .5 .5 .0043 |
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Mg .9288 .125 .125 .0042 |
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Pt .71438 .71438 .71438 .00247 |
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Behierite |
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Range K J, Wildenauer M, Heyns A M |
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Angewandte Chemie 100 (1988) 973-975 |
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Extrem kurze nichtbindende sauerstoff-sauerstoff-abstande: Die |
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kristallstrukturen von NbBO4, NaNb3O8 und NaTa3O8 |
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Locality: synthetic |
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Note: data from ICSD |
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_database_code_amcsd 0011990 |
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6.2141 6.2141 5.476 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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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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Nb 0 .75 .125 .0014 .0014 .0012 0 0 0 |
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B 0 .25 .375 .0051 .0051 .0041 0 0 0 |
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O 0 .0712 .1994 .0060 .0022 .0029 0 0 -.0002 |
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NaTa3O8 |
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Range K J, Wildenauer M, Heyns A M |
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Angewandte Chemie 100 (1988) 973-975 |
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Extrem kurze nichtbindende sauerstoff-sauerstoff-abstaende: Die |
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kristallstrukturen von NbBO4, NaNb3O8 und NaTa3O8 |
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Note: data from ICSD |
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_database_code_amcsd 0011991 |
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7.242 10.462 7.001 90 90 90 Ibam |
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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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Na 0 0 .25 .0536 .0242 .0385 0 0 0 |
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Ta1 0 .5 .75 .0027 .0020 .0017 0 0 0 |
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Ta2 .2385 .2642 0 .0024 .0029 .0029 0 0 .0007 |
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O1 .9902 .1742 0 .0020 .0072 .0134 0 0 -.0006 |
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O2 .1183 .4322 0 .0008 .0054 .0064 0 0 -.0014 |
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O3 .1926 .3570 .2971 .0069 .0056 .0058 .0007 .0011 .0020 |
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| Download AMC data (View Text File)
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|
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NaNb3O8 |
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Range K J, Wildenauer M, Heyns A M |
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Angewandte Chemie 100 (1988) 973-975 |
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Extrem kurze nichtbindende sauerstoff-sauerstoff-abstaende: Die |
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kristallstrukturen von NbBO4, NaNb3O8 und NaTa3O8 |
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Note: data from ICSD |
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_database_code_amcsd 0011992 |
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7.3244 10.3100 7.0426 90 90 90 Ibam |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na 0 0 .25 .007689 .001976 .006553 0 0 0 |
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Nb1 0 .5 .75 .001496 .000710 .002117 0 0 0 |
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Nb2 .25239 .26430 0 .001426 .000934 .002671 .000132 0 0 |
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O1 .9833 .1670 0 .001678 .001717 .006049 -.000166 0 0 |
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O2 .1067 .4237 0 .002563 .001717 .002016 .000629 0 0 |
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O3 .1985 .3611 .2996 .003029 .001364 .003075 .000629 .000097 .000516 |
|
|
| Download AMC data (View Text File)
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|
| |
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