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Palladinite |
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Waser J, Levy H A, Peterson S W |
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Acta Crystallographica 6 (1953) 661-663 |
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The structure of PdO |
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Locality: synthetic |
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_database_code_amcsd 0009157 |
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3.03 3.03 5.33 90 90 90 *P4_2/mmc |
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0 .5 .5 |
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atom x y z |
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Pd 0 0 0 |
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O .5 0 .25 |
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Ice Ih deuterated |
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Peterson S, Levy H |
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Acta Crystallographica 10 (1957) 70-76 |
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A Single-Crystal Neutron Diffraction Study of Heavy Ice |
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_cod_database_code 1008748 |
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_database_code_amcsd 0016627 |
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4.513 4.513 7.355 90 90 120 P6_3/mmc |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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O1 1/3 2/3 .0629 2.39 2.39 2.39 1.2 0 0 |
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D1 1/3 2/3 .1989 .5 3.23 3.23 2.97 1.62 0 0 |
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D2 .4551 .9102 .0182 .5 3.30 2.80 3.05 1.4 .24 .48 |
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Ice Ih deuterated |
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Peterson S, Levy H |
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Acta Crystallographica 10 (1957) 70-76 |
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A Single-Crystal Neutron Diffraction Study of Heavy Ice |
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_cod_database_code 1008749 |
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_database_code_amcsd 0016628 |
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4.489 4.489 7.327 90 90 120 P6_3/mmc |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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O1 1/3 2/3 .0620 1.53 1.53 1.48 .76 0 0 |
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D1 1/3 2/3 .1980 .5 2.41 2.41 1.81 1.2 0 0 |
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D2 .4545 .909 .0172 .5 2.29 1.85 2.43 .92 .24 .48 |
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Urea |
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Worsham J, Levy H, Peterson S |
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Acta Crystallographica 10 (1957) 319-323 |
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The positions of hydrogen atoms in urea by neutron diffraction |
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_cod_database_code 1008776 |
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_database_code_amcsd 0016652 |
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5.661 5.661 4.712 90 90 90 P-42_1m |
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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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C1 0 .5 .333 2.35 2.35 .85 0 0 0 |
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O1 0 .5 .5968 3.74 3.74 .80 0 0 0 |
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N1 .1439 .6439 .1832 4.86 4.86 1.39 0 -.07 -.07 |
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H1 .2522 .7522 .2839 6.33 6.33 3.54 0 -.34 -.34 |
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H2 .1365 .6365 .9724 6.72 6.72 1.82 0 -.23 -.23 |
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F2 H K |
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Peterson S, Levy H |
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Journal of Chemical Physics 20 (1952) 704-707 |
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A single crystal neutron diffraction determination of the hydrogen |
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position in potassium bifluoride |
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_cod_database_code 1009029 |
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_database_code_amcsd 0016891 |
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5.67 5.67 6.81 90 90 90 I4/mcm |
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atom x y z |
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K1 0 0 .25 |
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H1 0 .5 0 |
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F1 .1408 .6408 0 |
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Eriochalcite |
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Peterson S, Levy H |
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Journal of Chemical Physics 26 (1957) 220-221 |
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Proton positions in Cu Cl2 (H2 O)2 by neutron diffraction |
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_cod_database_code 1008760 |
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_database_code_amcsd 0016637 |
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7.395 8.056 3.728 90 90 90 Pbmn |
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atom x y z |
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Cu1 0 0 0 |
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O1 0 .239 0 |
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Cl1 .2402 0 .3804 |
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H1 .0822 .3065 .1295 |
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H2 Li2 O5 S |
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Smith H, Peterson S, Levy H |
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Journal of Chemical Physics 48 (1968) 5561-5565 |
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Neutron-diffraction study of lithium sulfate monohydrate |
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_cod_database_code 1008190 |
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_database_code_amcsd 0016127 |
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5.4537 4.857 8.1734 90 107.367 90 P2_1 |
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atom x y z |
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Li1 .3033 .4969 .9938 |
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Li2 .5609 .4866 .3943 |
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S1 .2924 0 .2078 |
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O1 .0220 .0710 .1703 |
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O2 .4338 .1139 .3783 |
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O3 .3997 .1230 .0783 |
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O4 .331 .7014 .2104 |
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O5 .9127 .4720 .3970 |
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H1 .9673 .3908 .3082 |
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H2 .0045 .6296 .4366 |
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|
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O4 Sc V |
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Milligan W, Vernon L, Levy H, Peterson S |
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Journal of Physical Chemistry 57 (1953) 535-537 |
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Neutron diffraction studies on scandium orthovanadate and scandium oxide |
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_cod_database_code 1008779 |
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_database_code_amcsd 0016655 |
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6.78 6.78 6.12 90 90 90 I4_1/amd |
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atom x y z |
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Sc1 0 0 0 |
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V1 0 0 .5 |
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O1 0 .197 .32 |
|
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|
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O3 Sc2 |
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Milligan W, Vernon L, Levy H, Peterson S |
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Journal of Physical Chemistry 57 (1953) 535-537 |
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Neutron diffraction studies on scandium orthovanadate and scandium oxide |
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_cod_database_code 1008928 |
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_database_code_amcsd 0016795 |
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9.79 9.79 9.79 90 90 90 Ia3 |
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atom x y z |
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Sc1 .25 .25 .25 |
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Sc2 -.03 0 .25 |
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O1 .385 .145 .38 |
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|
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Br D4 N |
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Levy H, Peterson S |
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Journal of the American Chemical Society 75 (1953) 1536-1542 |
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Neutron Diffraction Determination of the Crystal Structure of Ammonium |
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Bromide in Four Phases |
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_cod_database_code 1008127 |
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_database_code_amcsd 0016069 |
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4. 4. 4. 90 90 90 P-43m |
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atom x y z |
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N1 0 0 0 |
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Br1 .5 .5 .5 |
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D1 .148 .148 .148 |
|
|
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|
| |
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Br D4 N |
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Levy H, Peterson S |
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Journal of the American Chemical Society 75 (1953) 1536-1542 |
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Neutron Diffraction Determination of the Crystal Structure of Ammonium |
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Bromide in Four Phases |
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_cod_database_code 1008128 |
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_database_code_amcsd 0016070 |
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4.06 4.06 4.06 90 90 90 Pm3m |
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atom x y z occ |
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N1 0 0 0 |
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Br1 .5 .5 .5 |
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D1 .1475 .1475 .1475 .5 |
|
|
| Download AMC data (View Text File)
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|
| |
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Br D4 N |
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Levy H, Peterson S |
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Journal of the American Chemical Society 75 (1953) 1536-1542 |
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Neutron Diffraction Determination of the Crystal Structure of Ammonium |
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Bromide in Four Phases |
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_cod_database_code 1008129 |
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_database_code_amcsd 0016071 |
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5.826 5.826 4.136 90 90 90 P4/nmm |
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atom x y z |
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N1 0 0 0 |
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Br1 0 .5 .47 |
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D1 0 .147 .147 |
|
|
| Download AMC data (View Text File)
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|
| |
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Br D4 N |
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Levy H, Peterson S |
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Journal of the American Chemical Society 75 (1953) 1536-1542 |
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Neutron diffraction determination of the crystal structure of ammonium |
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bromide in four phases |
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_cod_database_code 1008920 |
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_database_code_amcsd 0016787 |
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6.9 6.9 6.9 90 90 90 Fm3m |
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atom x y z occ |
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N1 0 0 0 |
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Br1 .5 .5 .5 |
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D1 0 .0152 .1741 .0833 |
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D2 .4206 .4206 .841 .0833 |
|
|
| Download AMC data (View Text File)
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|
| |
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Archerite |
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Levy H A, Peterson S W, Simonsen S H |
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Physical Review 93 (1954) 1120-1121 |
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Neutron diffraction study of the ferroelectric modification of potassium |
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dihydrogen phosphate |
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Note sample at T = 113 K |
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Note: low temperature polymorph of archerite |
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_database_code_amcsd 0015150 |
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10.53 10.44 6.90 90 90 90 Fdd2 |
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atom x y z Biso |
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K 0 0 .512 .4 |
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P 0 0 0 .6 |
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O1 .1160 .0345 .1310 .6 |
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O2 -.0345 .1160 -.1235 .6 |
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H .1880 -.0375 .1335 2. |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kangite |
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Milligan W, Vernon L, Levy H, Peterson S |
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Journal of Physical Chemistry 57 (1953) 535-537 |
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Neutron diffraction studies on scandium orthovanadate and scandium oxide |
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Locality: synthetic |
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_cod_database_code 1008928 |
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_database_code_amcsd 0016795 |
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9.79 9.79 9.79 90 90 90 Ia3 |
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atom x y z |
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Sc1 .25 .25 .25 |
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Sc2 -.03 0 .25 |
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O .385 .145 .38 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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