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(NH4)2HgCl2(NO3)2 |
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Nockemann P, Meyer G |
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Acta Crystallographica E58 (2002) i68-i69 |
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Ammonium mercury(II) dichloride nitrate, (NH4)2HgCl2(NO3)2 |
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_database_code_amcsd 0010381 |
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15.5758 5.4976 11.2826 90 90 90 Pnma |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Hg1 .169811 .75 .255661 .02896 .03194 .02901 .02593 0 -.00203 0 |
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Cl1 .14553 .75 .05452 .0401 .0519 .0418 .0265 0 -.0067 0 |
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Cl2 .19354 .75 .45760 .0405 .0562 .0398 .0256 0 -.0028 0 |
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O1 .2002 .25 .2594 .0466 .0236 .032 .085 0 .0073 0 |
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O2 .31904 .0530 .2396 .0389 .0401 .0351 .0415 .0123 .0012 -.0010 |
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O3 .01854 .0545 .3154 .0530 .0397 .051 .068 -.0005 .0005 .0285 |
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O4 -.0002 .25 .1533 .0461 .045 .066 .0270 0 -.0020 0 |
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N1 .2799 .25 .2462 .0270 .029 .027 .025 0 .0025 0 |
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N2 .0120 .25 .2608 .0273 .0222 .030 .030 0 -.0012 0 |
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N3 .1048 .25 .5474 .0382 .052 .033 .029 0 -.004 0 |
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N4 .4205 .75 .4098 .0378 .044 .032 .038 0 -.0078 0 |
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Archerite |
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Nelmes R J, Meyer G M, Tibballs J E |
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Journal of Physics C: Solid State Physics 15 (1982) 59-75 |
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The crystal structure of tetragonal KH2PO4 |
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and KD2PO4 as a function of temperature |
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Sample: T = 127 K |
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_database_code_amcsd 0013164 |
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7.4264 7.4264 6.931 90 90 90 I-42d |
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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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K 0 0 .5 .00922 .00922 .0066 0 0 0 |
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H .14867 .22713 .12266 .5 .0172 .0166 .0199 -.0005 -.0018 -.0007 |
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P 0 0 0 .0052 .0052 .0081 0 0 0 |
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O .14933 .08283 .12675 .0068 .0070 .0091 .0006 -.0050 -.0017 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Archerite |
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Nelmes R J, Meyer G M, Tibballs J E |
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Journal of Physics C: Solid State Physics 15 (1982) 59-75 |
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The crystal structure of tetragonal KH2PO4 |
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and KD2PO4 as a function of temperature |
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Sample: T = 295 K |
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_database_code_amcsd 0013165 |
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7.4521 7.4521 6.974 90 90 90 I-42d |
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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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K 0 0 .5 .0204 .0204 .0141 0 0 0 |
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H .14757 .22559 .12161 .5 .0223 .0249 .0268 -.0005 -.0019 -.0020 |
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P 0 0 0 .0106 .0106 .0138 0 0 0 |
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O .14839 .08264 .12584 .0144 .0142 .0186 .0019 -.0054 -.0039 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Archerite |
|
Nelmes R J, Meyer G M, Tibballs J E |
| |
Journal of Physics C: Solid State Physics 15 (1982) 59-75 |
|
The crystal structure of tetragonal KH2PO4 |
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and KD2PO4 as a function of temperature |
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Sample: T = 227 K |
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_database_code_amcsd 0013166 |
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7.459 7.459 6.957 90 90 90 I-42d |
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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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K 0 0 .5 .0161 .0161 .0103 0 0 0 |
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D .14901 .22016 .12098 .5 .0157 .0163 .0198 -.0006 -.0015 -.0018 |
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P 0 0 0 .0088 .0088 .0141 0 0 0 |
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O .14947 .08091 .12623 .0113 .0116 .0148 .0015 -.0041 -.0028 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Archerite |
|
Nelmes R J, Meyer G M, Tibballs J E |
| |
Journal of Physics C: Solid State Physics 15 (1982) 59-75 |
|
The crystal structure of tetragonal KH2PO4 |
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and KD2PO4 as a function of temperature |
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Sample: T = 263 K |
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_database_code_amcsd 0013167 |
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7.4794 7.4794 6.995 90 90 90 I-42d |
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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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K 0 0 .5 .0259 .0259 .0163 0 0 0 |
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D .14736 .22010 .12113 .5 .0205 .0238 .0255 -.0005 -.0026 -.0033 |
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P 0 0 0 .0139 .0139 .0174 0 0 0 |
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O .14839 .08108 .12554 .0182 .0184 .0227 .0025 -.0072 -.0049 |
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| 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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Perovskite group |
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Meyer G, Gros Y, Bochu B, Collomb A, Chenavas J, Joubert J, Marezio M |
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Physica Status Solidi, Sectio A: Applied Research 48 (1978) 581-586 |
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Synthesis, crystal structure, and Mossbauer study of a series of |
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perovskite-like compounds (A Cu3) (M, Fe)4 O12 |
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_cod_database_code 1008788 |
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_database_code_amcsd 0016660 |
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7.436 7.436 7.436 90 90 90 Im3 |
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atom x y z occ |
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Nd1 0 0 0 |
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Cu1 0 .5 .5 |
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Ti1 .25 .25 .25 .75 |
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Fe1 .25 .25 .25 .25 |
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O1 .3017 .1778 0 |
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| 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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