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Calomel |
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Calos N J, Kennard C H L, Davis R L |
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Zeitschrift fur Kristallographie 187 (1989) 305-307 |
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The structure of calomel, Hg2Cl2, derived from neutron powder data |
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_database_code_amcsd 0010993 |
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4.4795 4.4795 10.9054 90 90 90 I4/mmm |
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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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Hg 0 0 .119 .0001 .0001 .071 0 0 0 |
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Cl 0 0 .3356 .056 .056 -.004 0 0 0 |
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Metatorbernite |
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Calos N J, Kennard C H L |
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Zeitschrift fur Kristallographie 211 (1996) 701-702 |
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Crystal structure of copper bis(uranyl phosphate) octahydrate (metatobernite), |
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Cu(UO2PO4)2*8(H2O) |
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Locality: Sonora, Mexico |
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_database_code_amcsd 0011066 |
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6.950 6.950 8.638 90 90 90 *P4/nmm |
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.25 -.25 0 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu .25 .25 -.390 .5 .010 .010 .06 0 0 0 |
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U .25 .25 .1050 .004 .004 .027 0 0 0 |
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P .25 .75 0 .014 .014 .008 0 0 0 |
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O1 .25 .25 -.104 .02 |
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O2 .25 .25 .315 .02 |
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Wat3 .25 -.081 .108 .043 |
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O4 .527 .25 -.388 .09 |
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Cyanochroite |
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Robinson D J, Kennard C H L |
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Crystal Structure Communications 1 (1972) 185-188 |
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Potassium hexa-aquacopper(II) sulfate, CuH12K2O14S2 (neutron) |
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Locality: synthetic |
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_database_code_amcsd 0012326 |
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9.066 12.13 6.149 90 104.4 90 P2_1/a |
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atom x y z |
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K .1237 .3467 .3418 |
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Cu 0 0 0 |
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S .4019 .1360 .7225 |
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O3 .3983 .2349 .5832 |
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O4 .5435 .0754 .7397 |
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O5 .2731 .0639 .6105 |
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O6 .3855 .1677 .9460 |
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O7 .1614 .1122 .1641 |
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O8 -.1872 .1187 .0363 |
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O9 -.0037 -.0650 .2875 |
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H15 .2091 .0898 .3181 |
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H16 .2420 .1244 .0875 |
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H17 -.2831 .1023 -.0729 |
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H18 -.1595 .1916 .0005 |
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H19 -.1012 -.0587 .3268 |
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H20 .0326 -.1410 .3208 |
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Boron |
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Hoard J L, Sullenger D B, Kennard C H L, Hughes R E |
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Journal of Solid State Chemistry 1 (1970) 268-277 |
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The structure analysis of beta-rhombohedral boron |
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Locality: synthetic |
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_database_code_amcsd 0013290 |
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10.944 10.944 23.81 90 90 120 R-3m |
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atom x y z occ Biso |
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B1 .1730 .1742 .1768 .485 |
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B2 .3189 .2966 .1291 .538 |
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B3 .2607 .2172 .4199 .479 |
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B4 .2351 .2506 .3473 .624 |
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B5 .0549 .1097 -.0560 .551 |
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B6 .0867 .1735 .0130 .613 |
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B7 .1091 .2182 -.1140 .470 |
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B8 .1703 .3406 .0281 .623 |
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B9 .1285 .2570 -.2338 .569 |
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B10 .1022 .2044 -.3020 .348 |
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B11 .0562 .1125 .3267 .414 |
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B12 .0894 .1788 .3990 .353 |
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B13 .0574 .1148 -.4460 2/3 .780 |
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B14 0 0 .3852 .272 |
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B15 0 0 .5 1.315 |
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B16 .0546 .1093 .1166 1/3 1.944 |
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| Download AMC data (View Text File)
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