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Al Cl4 K |
| |
Mairesse G, Barbier P, Wignacourt J |
 |
Acta Crystallographica B34 (1978) 1328-1330 |
|
Potassium tetrachloroaluminate |
|
_cod_database_code 1004038 |
|
_database_code_amcsd 0009636 |
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10.481 7.183 9.273 93.10 90 90 P2_1 |
|
atom x y z |
|
Al1 .6648 .0068 .9336 |
|
Cl1 .8263 .0263 .7977 |
|
Cl2 .4914 -.0553 .8200 |
|
Cl3 .6914 -.2121 .0782 |
|
Cl4 .6520 .2656 .0584 |
|
Al2 .5565 .4918 .5641 |
|
Cl5 .3928 .4697 .6996 |
|
Cl6 .7230 .5409 .6892 |
|
Cl7 .5321 .7149 .4255 |
|
Cl8 .5718 .2341 .4423 |
|
K1 .9178 .4441 .9452 |
|
K2 .3049 .0528 .5566 |
|
|
| Download AMC data (View Text File)
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|
| |
|
B Cl4 K O12 S4 |
| |
Mairesse G, Drache M |
|
Acta Crystallographica B34 (1978) 1771-1776 |
|
The crystal structure of potassium tetrachlorosulfatoborate, K (B (SO3 Cl)4) |
|
_cod_database_code 1004039 |
|
_database_code_amcsd 0009643 |
|
10.513 10.838 10.965 99.21 135.48 97.15 P1 |
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atom x y z |
|
K1 .7991 -.0710 .3957 |
|
B1 0 0 0 |
|
S1 -.1224 .2084 -.0633 |
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Cl1 -.2187 .2518 -.2787 |
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O1 -.0187 .1172 -.0554 |
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O2 .0166 .3273 .0938 |
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O3 -.2787 .1397 -.1059 |
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S2 .3413 .0593 .1291 |
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Cl2 .2699 .1140 -.0738 |
|
O4 .1473 -.0360 .0288 |
|
O5 .4592 -.0168 .1738 |
|
O6 .4092 .1757 .2676 |
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S3 -.2800 -.2009 -.3323 |
|
Cl3 -.1479 -.3338 -.2734 |
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O7 -.1797 -.1158 -.1415 |
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O8 -.4732 -.2722 -.4419 |
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O9 -.2385 -.1247 -.3997 |
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S4 .0602 -.0563 .2622 |
|
Cl4 .2852 .0605 .5212 |
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O10 .0480 .0360 .1657 |
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O11 .0991 -.1676 .2253 |
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O12 -.0955 -.0795 .2319 |
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K2 .1319 .5950 .2286 |
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B2 .2617 .5244 .7611 |
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Cl5 -.2083 .2721 .2318 |
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O13 .1258 .4067 .5893 |
|
O14 -.0490 .1970 .5278 |
|
O15 -.1557 .3838 .5167 |
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S5 -.0689 .3155 .4900 |
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S6 .5443 .4649 .8322 |
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Cl6 .4176 .4098 .5739 |
|
O16 .4455 .5603 .8268 |
|
O17 .7384 .5401 .9532 |
|
O18 .4954 .3479 .8535 |
|
S7 .1829 .7248 .6304 |
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Cl7 .4479 .8578 .8222 |
|
O19 .1980 .6401 .7368 |
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O20 .0622 .7967 .5931 |
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O21 .1482 .6499 .4874 |
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S8 .3786 .5804 .0805 |
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Cl8 .4871 .4634 .2231 |
|
O22 .2746 .4882 .8923 |
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O23 .5300 .6918 .1563 |
|
O24 .2473 .6043 .0740 |
|
|
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|
| |
|
H2 K3 N O7 S2 |
| |
Barbier P, Parent Y, Mairesse G |
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Acta Crystallographica B35 (1979) 1308-1312 |
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Crystal structure of K3 N (S O3)2 H2 O (I) and refinement of |
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the crystal structure of K2 N H (S O3)2 (II) |
|
_cod_database_code 1004041 |
|
_database_code_amcsd 0009668 |
|
8.126 7.978 6.762 103.36 90.98 97.86 P-1 |
|
atom x y z |
|
K1 .24092 -.05563 .3129 |
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K2 .93601 .65553 .80156 |
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K3 .57643 .32638 .33233 |
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N1 .8774 .8734 .2492 |
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S1 .72283 .93780 .15114 |
|
S2 .85435 .69344 .31988 |
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O1 .6625 .8143 -.0404 |
|
O2 .7903 .1064 .1139 |
|
O3 .5896 .9582 .2952 |
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O4 .8024 .5430 .1462 |
|
O5 .7322 .6938 .4784 |
|
O6 .0198 .6825 .4007 |
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O7 .3906 .5995 .2284 |
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H1 .356 .562 .120 |
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H2 .462 .665 .209 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Al Cl4 Na |
| |
Mairesse G, Barbier P, Wignacourt J |
|
Acta Crystallographica B35 (1979) 1573-1580 |
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Comparison of the crystal structures of alkaline (M = Li, Na, K, Rb, Cs) |
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and Pseudo-alkaline (M = N O, N H4) Tetrachloroaluminates, MAlCl4 |
|
_cod_database_code 1004043 |
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_database_code_amcsd 0009683 |
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9.886 6.617 10.322 90 90 90 P2_12_12_1 |
|
atom x y z |
|
Al1 .51429 .20707 .96226 |
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Cl1 .68550 .10957 .85152 |
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Cl2 .33503 .07337 .87726 |
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Cl3 .55257 .07458 .15367 |
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Cl4 .50874 .55281 .96786 |
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Na1 .71343 .31122 .37466 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Al Cl4 Cs |
| |
Mairesse G, Barbier P, Wignacourt J |
|
Acta Crystallographica B35 (1979) 1573-1580 |
|
Comparison of the crystal structures of alkaline (M = Li, Na, K, Rb, Cs) |
|
and Pseudo-alkaline (M = N O, N H4) Tetrachloroaluminates, MAlCl4 |
|
_cod_database_code 1004044 |
|
_database_code_amcsd 0009684 |
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11.641 7.116 9.373 90 90 90 Pnma |
|
atom x y z |
|
Al1 .57016 .25 .69293 |
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Cl1 .71186 .25 .55165 |
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Cl2 .40999 .25 .58962 |
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Cl3 .58735 .00915 .82699 |
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Cs1 .68056 .25 .16536 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Br4 H4 In K O2 |
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Wignacourt J, Mairesse G, Barbier P |
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Acta Crystallographica B36 (1980) 669-671 |
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Potassium Diaquatetrabromoindate(III) |
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_cod_database_code 1004048 |
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_database_code_amcsd 0009704 |
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6.852 11.984 6.996 90 113.38 90 P2_1/c |
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atom x y z occ |
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In1 0 0 0 |
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Br1 .79670 .85202 .71425 |
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Br2 .65924 .12370 .87100 |
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O1 .9082 .9224 .2471 |
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K1 .7169 .0940 .3862 .5 |
|
|
| Download AMC data (View Text File)
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|
| |
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B Cl4 Li O12 S4 |
| |
Mairesse G, Drache M |
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Acta Crystallographica B36 (1980) 2767-2768 |
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Lithium Tetrakis(chlorosulfato)borate |
|
_cod_database_code 1004054 |
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_database_code_amcsd 0009725 |
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8.832 8.388 20.765 90 91.89 90 P2_1/c |
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atom x y z |
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B1 .64878 .74555 .08898 |
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S1 .85183 .87610 .17427 |
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Cl1 .94171 .75120 .24621 |
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O1 .73476 .75437 .15015 |
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O2 .96663 .89714 .12844 |
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O3 .78199 .01141 .19920 |
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S2 .80970 .47882 .06141 |
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Cl2 .75328 .32413 .12787 |
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O4 .67422 .59201 .05737 |
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O5 .80900 .39639 .00241 |
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O6 .94316 .55537 .08479 |
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S3 .39567 .67860 .15074 |
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Cl3 .42739 .82245 .22517 |
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O7 .48619 .76098 .09887 |
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O8 .24158 .68907 .1322 |
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O9 .45900 .53008 .16749 |
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S4 .77167 .89470 -.01394 |
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Cl4 .63542 .79789 -.08826 |
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O10 .68104 .88234 .04670 |
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O11 .78481 .05803 -.02844 |
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O12 .90314 .79866 -.01002 |
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Li1 .08958 .74882 .06198 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Br4 In K |
| |
Wignacourt J, Mairesse G, Abraham F |
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Acta Crystallographica C40 (1984) 2006-2007 |
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Potassium Tetrabromoindate(III), K (In Br4) |
|
_cod_database_code 1004072 |
|
_database_code_amcsd 0010000 |
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7.891 10.390 10.390 90 90 90 Pnna |
|
atom x y z |
|
In1 .25 0 .1808 |
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Br1 .3428 .1875 .0486 |
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Br2 -.0018 .0544 .3197 |
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K1 .6792 .25 .25 |
|
|
| Download AMC data (View Text File)
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|
| |
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Al Cl4 H4 N |
| |
Mairesse G, Barbier P, Wignacourt J, Rubbens A, Wallart F |
| |
Canadian Journal of Chemistry 56 (1978) 764-771 |
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X-ray, Raman, infrared, and nuclear magnetic resonance studies of the |
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crystal structure of ammonium tetrachloroaluminate, N H4 Al Cl4 |
|
_cod_database_code 1004065 |
|
_database_code_amcsd 0012165 |
|
11.022 7.072 9.257 90 90 90 Pnma |
|
atom x y z |
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Al1 .56652 .25 .68838 |
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Cl1 .71891 .25 .54944 |
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Cl2 .40057 .25 .57645 |
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Cl3 .57686 .00746 .82357 |
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N1 .68464 .25 .17485 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cl5 H2 In K2 O |
| |
Wignacourt J, Mairesse G, Barbier P |
| |
Crystal Structure Communications 5 (1976) 293-296 |
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Potassium pentachloroindate monohydrate, K2 (In Cl5, H2 O) |
|
_cod_database_code 1004034 |
|
_database_code_amcsd 0012332 |
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13.905 9.952 7.185 90 90 90 Pnma |
|
atom x y z |
|
In1 .11301 .25 .81282 |
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Cl1 .21698 .25 .09029 |
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Cl2 .25518 .25 .60589 |
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Cl3 .00191 .25 .54183 |
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Cl4 .10483 .00049 .81624 |
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O1 -.01314 .25 .00309 |
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K1 .35250 .00032 .85743 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Al Cl4 N O |
| |
Barbier P, Mairesse G, Wignacourt J, Baert F |
| |
Crystal Structure Communications 5 (1976) 633-637 |
|
Nitrosyl tetrachloroaluminate N O Al Cl4 |
|
_cod_database_code 1004060 |
|
_database_code_amcsd 0012334 |
|
10.411 7.055 9.461 90 90 90 Pnma |
|
atom x y z occ |
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Al1 .06152 .25 .81418 |
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Cl1 .23156 .25 .93770 |
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Cl2 -.1038 .25 .94207 |
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Cl3 .06259 .00504 .58358 |
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N1 .19409 .17942 .27782 .3 |
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O1 .19409 .17942 .27782 .3 |
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N2 .17715 .25 .22648 .4 |
|
O2 .17909 .25 .33185 .4 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Al Cl4 Li |
| |
Mairesse G, Barbier P, Vignacourt J |
| |
Crystal Structure Communications 6 (1977) 15-18 |
|
Lithium tetrachloroaluminate, Li Al Cl4 |
|
_cod_database_code 1004036 |
|
_database_code_amcsd 0012335 |
|
7.007 6.504 12.995 90 93.32 90 P2_1/c |
|
atom x y z |
|
Al1 .70588 .32198 .89924 |
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Cl1 .69400 .18329 .04695 |
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Cl2 .80902 .62835 .92849 |
|
Cl3 .92580 .18160 .81372 |
|
Cl4 .43947 .31364 .81280 |
|
Li1 .15688 .98308 .36658 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi Cu2 O6 P |
| |
Abraham F, Ketatni M, Mairesse G, Mernari B |
| |
European Journal of Solid State and Inorganic Chemistry 31 (1994) 313-323 |
|
Crystal structure of a new bismuth copper oxyphosphate: Bi Cu2 P O6 |
|
_cod_database_code 1004105 |
|
_database_code_amcsd 0012588 |
|
11.776 5.1730 7.7903 90 90 90 Pnma |
|
atom x y z |
|
Bi1 .10713 .25 .02360 |
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Cu1 .0898 .75 .6864 |
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Cu2 .0722 .75 .3156 |
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P1 .1972 .25 .4658 |
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O1 -.0056 .0040 .1760 |
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O2 .1232 .4973 .4945 |
|
O3 .2986 .25 .5860 |
|
O4 .2345 .25 .2782 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Al Cl4 Na |
| |
Wallart F, Lorriaux-Rubbens A, Mairesse G, Barbier P, Wignacourt J |
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Journal of Raman Spectroscopy 9 (1980) 55-61 |
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Etude Structurale du Tetrachloroaluminate de Sodium: Comparaison des |
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Spectres de Diffusion Raman de la Famille des M Al Cl4 |
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(M= Li, Na, K, Rb, Cs, NO, NH4) a l'Etat Solide |
|
_cod_database_code 1004059 |
|
_database_code_amcsd 0013286 |
|
10.322 9.886 6.167 90 90 90 P2_12_12_1 |
|
atom x y z |
|
Al1 .03774 .48571 .20707 |
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Cl1 .03214 .49126 .55281 |
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Cl2 .14848 .31450 .10957 |
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Cl3 -.15367 .47743 .07458 |
|
Cl4 .12274 .66497 .07337 |
|
Na1 .12534 .21353 .688880 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Al Cl4 Na |
| |
Wallart F, Lorriaux-Rubbens A, Mairesse G, Barbier P, Wignacourt J |
| |
Journal of Raman Spectroscopy 9 (1980) 55-61 |
|
Etude structurale du tetrachloroaluminate de sodium. Comparaison des |
|
spectres de diffusion raman de la famille des M Al Cl4 |
|
(M=Li, Na, K, Rb, Cs, No, Nh4,) a l'etat solide |
|
_cod_database_code 1004069 |
|
_database_code_amcsd 0013287 |
|
10.322 9.886 6.167 90 90 90 P2_12_12_1 |
|
atom x y z |
|
Al1 .03774 .48571 .20707 |
|
Cl1 .03214 .49126 .55281 |
|
Cl2 .14848 .31450 .10957 |
|
Cl3 -.15367 .47743 .07458 |
|
Cl4 .12274 .66497 .07337 |
|
Na1 .12534 .21353 .68878 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi Cl6 Cs3 |
| |
Benachenhou F, Mairesse G, Nowogrocki G, Thomas D |
| |
Journal of Solid State Chemistry 65 (1986) 13-26 |
|
Structural studies of Cs-K-Bi mixed chlorides relation to the crystal |
|
structures of A2 B M X6, A3 M X6 and A2 M X6 |
|
_cod_database_code 1004082 |
|
_database_code_amcsd 0013584 |
|
27.017 8.252 13.121 90 99.70 90 C2/c |
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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) |
|
Bi1 .25 .25 .5 .029 .026 .023 -.003 .007 .002 |
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Bi2 0 .7835 .25 .025 .026 .020 0 .007 0 |
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Cs1 .0496 .7444 .9317 .057 .082 .053 .015 .019 .024 |
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Cs2 .1614 .8133 .2982 .036 .038 .052 -.001 .012 -.003 |
|
Cs3 .3462 .1863 .8546 .039 .033 .041 .003 .005 -.003 |
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Cl1 .2492 .3890 .6871 .043 .040 .035 -.002 .010 -.004 |
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Cl2 .3235 .4548 .4639 .072 .054 .040 -.029 .023 -.003 |
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Cl3 .3269 .0549 .5813 .065 .056 .046 .026 .009 .012 |
|
Cl4 .0572 .5536 .1815 .051 .046 .047 .009 .016 -.006 |
|
Cl5 -.0583 .7739 .0641 .051 .090 .027 .003 .003 -.002 |
|
Cl6 .0576 .0263 .1928 .039 .047 .058 .001 .016 .017 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi Cl6 Cs K2 |
| |
Benachenhou F, Mairesse G, Nowogrocki G, Thomas D |
| |
Journal of Solid State Chemistry 65 (1986) 13-26 |
|
Structural studies of Cs-K-Bi mixed chlorides relation to the crystal |
|
structures of A2 B M X6, A3 M X6 and A2 M X6 |
|
_cod_database_code 1004083 |
|
_database_code_amcsd 0013585 |
|
25.653 7.799 12.874 90 99.24 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .25 .25 .5 .026 .029 .029 -.002 .006 .005 |
|
Bi2 0 .7786 .25 .026 .022 .022 0 .008 0 |
|
Cs1 .0512 .7363 .9307 .042 .052 .043 .005 .008 .011 |
|
K1 .1622 .8129 .3004 .039 .036 .072 .005 .008 .004 |
|
K2 .3432 .1906 .8756 .045 .035 .063 .011 .018 -.003 |
|
Cl1 .2503 .3906 .6939 .062 .047 .034 -.009 .015 -.007 |
|
Cl2 .3275 .4665 .4708 .052 .063 .075 -.006 .010 .025 |
|
Cl3 .3267 .0274 .5771 .058 .062 .087 .005 .008 .035 |
|
Cl4 .0643 .5405 .1845 .055 .046 .043 .005 .008 -.008 |
|
Cl5 -.0589 .7653 .0600 .042 .061 .031 .001 .002 -.001 |
|
Cl6 .0642 .0310 .1991 .039 .036 .056 -.011 .018 .013 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi26 Mo6.14 O68 V3.86 |
| |
Vannier R, Mairesse G, Abraham F, Nowogorocki G |
| |
Journal of Solid State Chemistry 122 (1996) 394-406 |
|
Bi26Mo10Od solid solution type in the Bi2O3 - MoO3 - V2O5 ternary diagram |
|
_cod_database_code 1004118 |
|
_database_code_amcsd 0013882 |
|
11.633 5.795 24.39 90 101.35 90 P2/c |
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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) |
|
Bi1 .03800 .4128 .32736 .0145 .0099 .0089 .0007 .0011 -.0011 |
|
Bi2 .15857 .9101 .24508 .0137 .0099 .0153 -.0001 .0027 -.0006 |
|
Bi3 .23743 .0047 .40059 .0199 .0148 .0117 .0025 -.0026 -.0009 |
|
Bi4 .35916 .4960 .32079 .0109 .0144 .0189 .0000 -.0008 -.0045 |
|
Bi5 .27319 .4962 .15770 .0120 .0180 .0214 .0025 .0055 .0055 |
|
Bi6 .08283 .0009 .08970 .0198 .0147 .0099 -.0033 .0041 -.0008 |
|
Bi7 .510 .502 .0076 .5 .043 .037 .017 -.002 .004 -.008 |
|
Mo1 .4272 -.0076 .0794 .58 .014 .025 .021 .000 .005 -.004 |
|
V1 .4272 -.0076 .0794 .42 .014 .025 .021 .000 .005 -.004 |
|
Mo2 .8309 .5131 .0126 .68 .025 .015 .007 .001 .002 .001 |
|
V2 .8309 .5131 .0126 .32 .025 .015 .007 .001 .002 .001 |
|
Mo3 .5 .007 .25 .55 .014 .015 .043 0 .009 0 |
|
V3 .5 .007 .25 .45 .014 .015 .043 0 .009 0 |
|
O1 0 .719 .25 |
|
O2 .140 .253 .1521 |
|
O3 .136 .744 .1521 |
|
O4 .237 .763 .3359 |
|
O5 .254 .581 .2420 |
|
O6 .059 .054 .3670 |
|
O7 0 .232 .25 |
|
O8 .229 .264 .3352 |
|
O9 .496 .727 .079 |
|
O10 .379 .067 .011 |
|
O11 .312 -.012 .108 |
|
O12 .527 .195 .097 |
|
O13 .919 .287 .032 |
|
O14 .803 .544 -.056 |
|
O15 .894 .754 .048 |
|
O16 .700 .452 .038 |
|
O17 .378 .168 .246 |
|
O18 .483 .83 .199 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi26 Mo10 O69 |
| |
Vannier R, Mairesse G, Abraham F, Nowogorocki G |
| |
Journal of Solid State Chemistry 122 (1996) 394-406 |
|
Bi26Mo10Od solid solution type in the Bi2O3 - MoO3 - V2O5 ternary diagram |
|
_cod_database_code 1004131 |
|
_database_code_amcsd 0013883 |
|
11.742 5.800 24.76999 90 102.94 90 P2/c |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .04101 .4163 .32690 .0129 .0123 .0129 .0004 .0041 -.0014 |
|
Bi2 .15779 .9151 .24587 .0114 .0106 .0195 .0002 .0063 -.0004 |
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Bi3 .24670 .0113 .40065 .0190 .0135 .0132 .0022 .0039 .0010 |
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Bi4 .36084 .5026 .32328 .0099 .0151 .0204 .0002 .0042 -.0024 |
|
Bi5 .26942 .5034 .16025 .0094 .0155 .0166 .0017 .0051 .0044 |
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Bi6 .07778 .0081 .09138 .0144 .0136 .0110 -.0022 .0034 .0003 |
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Bi7 .5120 .478 .0101 .5 .040 .074 .023 .004 .015 .000 |
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Mo1 .4180 -.0045 .0775 .0120 .019 .029 -.0014 .0082 .001 |
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Mo2 .8317 .5160 .0108 .041 .020 .017 .002 .005 .002 |
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Mo3 .5 .0078 .25 .019 .019 .032 0 .005 0 |
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O1 0 .727 .25 |
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O2 .136 .261 .1582 |
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O3 .132 .755 .1539 |
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O4 .238 .769 .3362 |
|
O5 .255 .589 .2440 |
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O6 .063 .066 .3674 |
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O7 0 .239 .25 |
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O8 .230 .269 .3350 |
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O9 .506 .735 .082 |
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O10 .379 .106 .013 |
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O11 .302 -.024 .105 |
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O12 .528 .205 .099 |
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O13 .929 .303 .023 |
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O14 .800 .552 -.058 |
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O15 .888 .755 .049 |
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O16 .710 .433 .032 |
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O17 .378 .166 .245 |
|
O18 .482 .820 .194 |
|
|
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|
| |
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Bi26.4 Mo9.6 O68.4 |
| |
Vannier R, Abraham F, Nowogrocki G, Mairesse G |
| |
Journal of Solid State Chemistry 142 (1999) 294-304 |
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New structural and electrical data on Bi-Mo mixed oxides with a |
|
structure based on (B12 O14)(infinite) columns |
|
_cod_database_code 1004134 |
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_database_code_amcsd 0013958 |
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11.7525 5.8005 24.8024 90 102.867 90 P2/c |
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atom x y z occ |
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Bi1 .0409 .416 .3261 |
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Bi2 .1584 .920 .2456 |
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Bi3 .2483 .008 .4013 |
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Bi4 .3607 .502 .3241 |
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Bi5 .2698 .501 .1597 |
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Bi6 .0761 .004 .0908 |
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Bi7 .522 .536 .009 .5 |
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Mo1 .4162 -.007 .0782 .96 |
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Bi8 .4162 -.007 .0782 .04 |
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Mo2 .8329 .512 .0105 .96 |
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Bi9 .8329 .512 .0105 .04 |
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Mo3 .5 .006 .25 .96 |
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Bi10 .5 .006 .25 .04 |
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O1 0 .713 .25 |
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O2 .1438 .258 .1584 |
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O3 .1264 .755 .1539 |
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O4 .237 .766 .3368 |
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O5 .2529 .591 .2424 |
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O6 .0610 .068 .3670 |
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O7 0 .222 .25 |
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O8 .235 .265 .3362 |
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O9 .514 -.254 .0851 |
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O10 .384 .106 .0100 |
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O11 .304 -.009 .1080 |
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O12 .531 .216 .0967 |
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O13 .932 .293 .0284 |
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O14 .799 .561 -.0583 |
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O15 .885 .757 .0463 |
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O16 .708 .423 .0377 |
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O17 .375 .172 .2423 |
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O18 .478 -.167 .1905 |
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O19 .485 .39 .182 .1 |
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|
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View JMOL 3-D Structure
|
| |
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Bi Na3 O8 P2 |
| |
Mairesse G, Drache M, Nowogrocki G, Abraham F |
| |
Phase Transition 27 (1990) 91-105 |
|
Order-disorder transition in Na3Bi(PO4)2 |
|
_cod_database_code 1004091 |
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_database_code_amcsd 0014941 |
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19.86 5.353 13.96 90 110.64 90 P2_1/c |
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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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Bi1 .61841 .20700 .04345 .0078 .0095 .0072 -.0008 .0024 -.0008 |
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Bi2 .12003 .19194 .07593 .0070 .0092 .0079 -.0008 .0018 .0002 |
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P1 .7082 .7775 .7126 .0054 .0061 .0073 .0000 .0011 .0001 |
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P2 .0400 .7705 .6222 .0046 .0058 .0088 -.0009 .0022 -.0009 |
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P3 .4617 .2352 .5826 .0066 .0055 .0076 -.0010 .0017 -.0001 |
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P4 .2086 .7733 .4965 .0044 .0066 .0085 -.0001 .0014 .0006 |
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Na1 .8010 .2073 .2464 .012 .016 .017 .001 .005 .001 |
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Na2 .5354 .7546 .1916 .013 .019 .013 -.002 .006 -.001 |
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Na3 .8631 .7452 .1691 .013 .019 .014 .003 .008 .003 |
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Na4 .9642 .2455 .1551 .012 .019 .015 -.004 .004 .000 |
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Na5 .3023 .2531 .0524 .011 .018 .017 .004 .003 -.001 |
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Na6 .3610 .7488 .1942 .014 .020 .010 -.002 .000 -.004 |
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O1 .6623 .6744 .7693 .011 .024 .018 -.004 .005 .003 |
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O2 .6955 .0595 .6909 .013 .008 .016 .001 -.003 .001 |
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O3 .6944 .6337 .6118 .015 .015 .015 .000 .001 -.005 |
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O4 .7897 .7340 .7746 .005 .015 .014 .002 .000 -.002 |
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O5 .0866 .5464 .6843 .014 .006 .013 .002 .002 .002 |
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O6 .0807 .0118 .6694 .013 .006 .014 .000 -.003 .000 |
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O7 .0325 .7401 .5104 .018 .012 .014 .000 .004 .001 |
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O8 -.0315 .7658 .6396 .007 .021 .022 .002 .007 -.001 |
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O9 .5336 .2339 .6714 .008 .019 .018 .001 -.003 -.003 |
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O10 .4175 .4649 .5991 .013 .006 .010 .003 .004 .002 |
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O11 .4191 -.0004 .5894 .015 .007 .020 -.002 .009 -.002 |
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O12 .4688 .2576 .4781 .017 .012 .018 -.001 .007 .003 |
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O13 .1987 .6366 .5884 .019 .016 .014 -.004 .005 .005 |
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O14 .2906 .7521 .5164 .006 .023 .015 .001 .005 -.004 |
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O15 .1912 .0530 .4973 .015 .007 .022 .002 .006 .003 |
|
O16 .1625 .6558 .3965 .007 .020 .013 -.003 .001 -.007 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bi Na3 O8 P2 |
| |
Mairesse G, Drache M, Nowogrocki G, Abraham F |
| |
Phase Transition 27 (1990) 91-105 |
|
Order-disorder transition in Na3Bi(PO4)2 |
|
_cod_database_code 1004092 |
|
_database_code_amcsd 0014942 |
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18.71 7.18 5.429 90 90. 90 Pnam |
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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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Bi1 .11815 .03270 .25 .0412 .0272 .0687 .0018 0 0 |
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P1 .2913 .2866 .25 .022 .030 .040 -.002 0 0 |
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P2 .4621 .7070 .25 .025 .028 .030 -.001 0 0 |
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Na1 .4609 .1606 .25 .062 .053 .081 -.006 0 0 |
|
Na2 .1365 .5266 .25 .061 .044 .107 .019 0 0 |
|
Na3 .2993 .8049 .25 .044 .084 .078 -.001 0 0 |
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O1 .4206 .7709 .0230 .061 .056 .033 .014 -.011 .001 |
|
O2 .4673 .4953 .25 .103 .042 .077 -.002 0 0 |
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O3 .5354 .7921 .25 .041 .074 .106 -.033 0 0 |
|
O4 .2101 .2474 .25 .023 .047 .08 -.004 0 0 |
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O5 .3112 .3230 -.0245 .5 .067 .080 .066 -.029 .028 .001 |
|
O6 .3036 .4564 .1044 .5 .093 .079 .092 -.008 -.004 .050 |
|
O7 .3338 .130 .1619 .5 .047 .072 .075 .011 .008 -.034 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cl6 H2 In K3 O |
| |
Wignacourt J, Nowogrocki G, Mairesse G, Barbier P |
| |
Reviews in Inorganic Chemistry 2 (1980) 207-217 |
|
Evidence for ionic isomerism in complex salts. X-ray evidence in K3InCl6.H2O |
|
_cod_database_code 1004098 |
|
_database_code_amcsd 0015366 |
|
15.723 15.723 18.069 90 90 90 I4mm |
|
atom x y z occ |
|
In1 .24357 .24357 .00499 |
|
Cl1 .35645 .13208 .00599 |
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Cl2 .15060 .15060 .08966 |
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Cl3 .30706 .30706 .12025 |
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Cl4 .33417 .33417 .92095 |
|
Cl5 .18005 .18005 .89051 |
|
In2 0 .5 .257 |
|
Cl6 0 .5 .12268 |
|
Cl7 0 .5 .39196 |
|
Cl8 .11404 .61551 .25732 |
|
In3 0 0 .27378 |
|
Cl9 0 0 .40793 |
|
Cl10 0 .15988 .26060 |
|
K1 .21001 .21001 .25590 |
|
K2 0 .29263 .12452 |
|
K3 0 .29532 .39536 |
|
K4 .5 .21428 .13151 |
|
K5 .5 .21935 .37735 |
|
K6 .5 .5 .11877 .5 |
|
K7 .5 .5 .37568 .5 |
|
Cl11 .5 .37184 .25010 .25 |
|
O1 0 0 .1477 |
|
O2 .5 .3378 .0281 .5 |
|
O3 .5 .3346 .2505 .5 |
|
O4 .5 .3362 .4719 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bi1.9 O5.3 Pb0.2 V0.9 |
| |
Vannier R, Mairesse G, Nowogrocki G, Abraham F, Boivin J |
| |
Solid State Ionics 53 (1992) 713-722 |
|
Electrical and structural investigations on a new bismuth lead vanadium |
|
oxide solid electrolyte |
|
_cod_database_code 1004097 |
|
_database_code_amcsd 0015510 |
|
3.965 3.965 15.46 90 90 90 I4/mmm |
|
atom x y z occ |
|
Bi1 .037 .037 .1634 .1188 |
|
Pb1 .037 .037 .1634 .0063 |
|
Bi2 0 0 .1763 .475 |
|
Pb2 0 0 .1763 .025 |
|
V1 .061 0 .5109 .1125 |
|
Pb3 .061 0 .5109 .0125 |
|
O1 0 .5 .25 |
|
O2 .165 0 .408 .25 |
|
O3 .414 0 0 .325 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cl5 H2 In K2 O |
| |
Wignacourt J, Lorriaux-Rubbens A, Barbier P, Mairesse G, Wallart F |
| |
Spectrochimica Acta A, Molecular Spectroscopy 36 (1980) 403-411 |
|
Structural stdudy of K2 In Cl5, H2 O by X-Ray, Raman and IR spectroscopies |
|
_cod_database_code 1004070 |
|
_database_code_amcsd 0015623 |
|
13.905 9.952 7.185 90 90 90 Pnma |
|
atom x y z |
|
In1 .11306 .25 .81263 |
|
Cl1 .21723 .25 .09030 |
|
Cl2 .25492 .25 .60549 |
|
Cl3 .00208 .25 .54144 |
|
Cl4 .10524 .0006 .81628 |
|
O1 -.01175 .25 .00307 |
|
K1 .35278 .00030 .85741 |
|
H1 -.046 .184 .037 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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