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ZnCl2N2C14 |
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Marsh R E, Schomaker V |
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Inorganic Chemistry 18 (1979) 2331-2336 |
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Some incorrect space groups in Inorganic Chemistry, Volume 16 |
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_database_code_amcsd 0012687 |
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9.115 11.942 14.428 90 90.77 90 C2/c |
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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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Zn 0 -.00562 .25 .02134 .00991 .00656 0 .00620 0 |
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N12 .0040 -.1137 .1403 .0196 .0104 .0064 .0009 .0033 .0010 |
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C2a2b .0916 -.0964 .0678 .0206 .0126 .0070 .0005 .0048 .0010 |
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C3a3b .0918 -.1655 -.0066 .0245 .0136 .0066 .0056 .0035 -.0009 |
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C4a4b .0028 -.2576 -.0098 .0259 .0124 .0068 .0070 -.0052 -.0035 |
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C5a5b -.0862 -.2757 .0654 .0274 .0134 .0082 .0-59 .0016 -.0021 |
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C6a6b -.0834 -.2035 .1374 .0242 .0124 .0076 .0-66 .0046 -.0019 |
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C7a7b .0138 -.3282 -.0947 .0338 .0156 .0145 .0016 -.0160 -.0044 |
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C8a8b -.0487 -.4159 -.1010 .0384 .0250 .0143 .0058 -.0130 -.0059 |
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Cl12 .2084 .0886 .2482 .0266 .0138 .0100 -.0108 .0084 -.0006 |
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Parwelite |
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Marsh R E, Schomaker V |
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Inorganic Chemistry 18 (1979) 2331-2336 |
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Some incorrect space groups in Inorganic Chemistry, Volume 16 |
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Locality: Langban, Sweden |
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_database_code_amcsd 0012688 |
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10.048 19.418 9.735 90 95.83 90 A2/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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MnM1 .5 0 .5 .81 .0119 .0217 .0131 .0017 -.0016 -.0028 |
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MgM1 .5 0 .5 .19 .0119 .0217 .0131 .0017 -.0016 -.0028 |
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MnM2 0 0 0 .90 .0100 .0213 .0133 .0002 -.0006 -.0040 |
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MgM2 0 0 0 .10 .0100 .0213 .0133 .0002 -.0006 -.0040 |
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MnM3 .25 .11018 .5 .90 .0197 .0143 .0175 0 -.0088 0 |
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MgM3 .25 .11018 .5 .10 .0197 .0143 .0175 0 -.0088 0 |
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MnM4 .75 .14234 .5 .95 .0116 .0164 .0138 0 -.0014 0 |
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MgM4 .75 .14234 .5 .05 .0116 .0164 .0138 0 -.0014 0 |
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MnM56 .49343 .10337 .74725 .84 .0111 .0140 .0129 -.0002 -.0023 -.0007 |
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MgM56 .49343 .10337 .74725 .16 .0111 .0140 .0129 -.0002 -.0023 -.0007 |
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MnM7 .25 .13091 0 .93 .0107 .0198 .0123 0 -.0021 0 |
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MgM7 .25 .13091 0 .07 .0107 .0198 .0123 0 -.0021 0 |
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MnM8 .75 .12603 0 .83 .0181 .0147 .0160 0 -.0056 0 |
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MgM8 .75 .12603 0 .17 .0181 .0147 .0160 0 -.0056 0 |
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MnM910 .51209 .25461 .46741 .58 .0117 .0152 .0121 .0010 -.0028 -.0003 |
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MgM910 .51209 .25461 .46741 .42 .0117 .0152 .0121 .0010 -.0028 -.0003 |
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Sb12 .24933 -.00460 .24947 .0098 .0128 .0103 .0004 -.0007 .0001 |
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As12 .18359 .25483 .29369 .0139 .0171 .0135 -.0001 -.0021 .0006 |
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Si12 .49334 .12043 .25398 .0092 .0140 .0106 -.0001 -.0017 .0002 |
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O1 .3894 .0668 .3248 1.01 |
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O2 .8458 .0688 .3789 .92 |
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O3 .1385 .0353 .3818 .92 |
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O4 .3457 .0614 .8803 1.04 |
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O5 .6399 .0432 .8842 1.19 |
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O6 .8971 .0722 .8206 1.06 |
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O7 .5617 .1631 .3836 1.16 |
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O8 .8259 .2411 .3785 1.37 |
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O9 .1454 .1779 .3588 1.39 |
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O10 .5750 .1896 .8581 1.23 |
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O11 .8289 .2179 .8709 1.46 |
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O12 .0891 .1629 .8692 .98 |
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N5C6CdS2 |
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Marsh R E, Schomaker V |
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Inorganic Chemistry 18 (1979) 2331-2336 |
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Some incorrect space groups in Inorganic Chemistry, Volume 16 |
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_database_code_amcsd 0012689 |
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12.46 9.07 7.52 121.8 123.4 83.9 P-1 |
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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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N12 .2729 .3860 .2964 .010734 .013794 .020736 .004478 .017737 .019750 |
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N34 .4726 .2840 .1158 .015651 .012407 .014368 .010661 .018839 .013072 |
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N58 .0283 .2676 .5513 .010599 .008866 .018545 .008188 .013566 .018507 |
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N69 -.2249 .3311 .2446 .008524 .006092 .010801 .004378 .010450 .010585 |
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N710 .5607 .2964 .6175 .009742 .008569 .011107 .003442 .007622 .011047 |
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C12 .1622 .3446 .1995 .011546 .007454 .015387 .004478 .014621 .012397 |
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C34 .4019 .2123 -.1034 .011005 .007479 .013705 .006450 .017113 .011402 |
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C510 -.0978 .1245 .3419 .013260 .006736 .024557 .006718 .018839 .017157 |
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C69 -.2130 .2058 .3196 .010870 .009138 .018036 .004746 .015532 .018329 |
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C711 .6962 .2392 .9625 .009066 .006439 .010903 .004579 .009779 .008987 |
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C812 .6603 .3739 .8944 .014794 .008098 .011005 .001805 .009444 .011544 |
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Cd1 0 .5 .5 .008524 .006464 .013400 .002206 .009444 .012006 |
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Cd2 .5 .5 .5 .008389 .008965 .010037 .005180 .009923 .012681 |
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S12 .0014 .2839 .0544 .008885 .011541 .014673 .000802 .012799 .008880 |
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S34 .3042 .1124 -.4165 .012629 .011739 .011158 .003175 .011888 .010337 |
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CaC3H2O4*2H2O |
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Marsh R E, Schomaker V |
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Inorganic Chemistry 18 (1979) 2331-2336 |
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Some incorrect space groups in Inorganic Chemistry, Volume 16 |
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_database_code_amcsd 0012690 |
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13.955 6.855 6.835 90 106.28 90 C2/m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .22270 0 .12314 .00274 .0061 .0086 0 .0021 0 |
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C1 .3532 0 -.1407 .0023 .0082 .0065 0 .0007 0 |
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C2 .4297 0 -.2638 .0021 .0106 .0096 0 .0015 0 |
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C3 .3754 0 -.4921 .0024 .0099 .0098 0 .0023 0 |
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O12 .3231 .1600 -.0908 .0049 .0070 .0169 .0015 .0055 .0014 |
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O34 .3519 .1606 -.5830 .0052 .0086 .0112 -.0001 .0011 .0013 |
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O5 .1245 0 .3614 .0038 .0158 .0163 -.0015 .0002 .0046 |
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O6 .0863 .0364 -.1770 .5 .0038 .0095 .0124 0 .0033 0 |
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H2 .472 .112 -.229 1.5 |
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H5 .136 .100 .443 5.8 |
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H6 .093 .139 -.237 .5 5.2 |
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H6’ .031 0 -.216 5.7 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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NaZnMoO4(OH) |
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Marsh R E, Schomaker V |
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Inorganic Chemistry 18 (1979) 2331-2336 |
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Some incorrect space groups in Inorganic Chemistry, Volume 16 |
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_database_code_amcsd 0012691 |
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7.85 9.292 6.148 90 90 90 Pnam |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na .36433 .3104 .75 .0110 .0038 .0151 .0005 0 0 |
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Zn .5 0 .5 .00506 .00396 .00462 .00072 .00092 -.00019 |
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Mo .12379 .17058 .25 .00256 .00227 .00546 .00049 0 0 |
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O12 .1140 .2785 .0153 .0092 .0038 .0064 .0029 -.0005 .0003 |
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O3 .4529 .4480 .25 .0068 .0085 .0277 .0043 0 0 |
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O4 .8691 .4357 .75 .0026 .0034 .0044 .0001 0 0 |
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O5 .3125 .0617 .25 .0051 .0058 .0051 .0036 0 0 |
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H .783 .457 .75 4.0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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