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Mascagnite |
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Schlemper E O, Hamilton W C |
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Journal of Chemical Physics 44 (1966) 4498-4509 |
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Neutron-diffraction study of the structures of ferroelectric and paraelectric |
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ammonium sulfate |
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Note: paraelectric, T = 298 K |
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Locality: synthetic |
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_database_code_amcsd 0012986 |
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7.782 10.636 5.993 90 90 90 Pnam |
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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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N1 .6895 .4025 .25 .0261 .0309 .0284 .0025 0 0 |
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N2 .9677 .7050 .25 .0322 .0287 .0335 -.0013 0 0 |
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H1 .810 .372 .25 .0663 .1129 .1043 .0486 0 0 |
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H2 .600 .343 .25 .0985 .0945 .0950 -.0453 0 0 |
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H3 .676 .457 .122 .0758 .1559 .1096 -.0050 -.0111 .0824 |
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H4 .069 .649 .25 .0556 .0865 .0905 .0193 0 0 |
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H5 .991 .792 .25 .1458 .0470 .1421 -.0281 0 0 |
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H6 .893 .682 .124 .1108 .0785 .1065 -.0059 -.0526 .0039 |
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S .2440 .4192 .25 .0243 .0292 .0231 .0025 0 0 |
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O1 .0612 .3887 .25 .0221 .0802 .0632 -.0130 0 0 |
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O2 .2701 .5559 .25 .0519 .0229 .0519 .0008 0 0 |
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O3 .3239 .3665 .0488 .0522 .0476 .0306 .0092 .0090 -.0129 |
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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 (permalink) |
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|
Mascagnite |
|
Schlemper E O, Hamilton W C |
| |
Journal of Chemical Physics 44 (1966) 4498-4509 |
|
Neutron-diffraction study of the structures of ferroelectric and paraelectric |
|
ammonium sulfate |
|
Note: ferroelectric, T = 180 K |
|
Locality: synthetic |
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_database_code_amcsd 0012987 |
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7.837 10.61 5.967 90 90 90 Pna2_1 |
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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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N1 .6808 .3958 .245 .0293 .0080 .0224 -.0046 -.0036 .0067 |
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N2 .9796 .6999 .256 .0246 .0057 .0256 .0004 -.0088 .0048 |
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H1 .771 .336 .202 .1030 .0365 .0732 .0375 .0479 .0045 |
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H2 .564 .360 .206 .0429 .0462 .0586 -.0110 -.0073 .0071 |
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H3 .691 .480 .157 .0498 .0154 .0310 .0093 .0190 .0298 |
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H4 .682 .412 .408 .0342 .0536 .0483 .0042 .0102 -.0157 |
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H5 .092 .658 .222 .0461 .0708 .0256 .0253 .0092 .0241 |
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H6 .990 .793 .265 .0921 .0086 .0761 .0067 -.0301 -.0225 |
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H7 .896 .670 .142 .0654 .0360 .0561 -.0139 -.0308 .0170 |
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H8 .945 .672 .412 .0261 .0639 .0458 -.0046 -.0040 .0109 |
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S .243 .421 .25 .0221 .0091 .0307 .0004 -.0021 -.0019 |
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O1 .061 .402 .212 .0165 .0280 .0265 -.0046 -.0054 -.0006 |
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O2 .284 .557 .222 .0265 .0080 .0245 -.0059 .0033 -.0029 |
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O3 .339 .346 .083 .0286 .0137 .0231 .0021 .0090 .0013 |
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O4 .294 .382 .477 .0277 .0131 .0177 .0004 -.0021 .0019 |
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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 (permalink) |
| |
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