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Gypsum |
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Schofield P F, Knight K S, Stretton I C |
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American Mineralogist 81 (1996) 847-851 |
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Thermal expansion of gypsum investigated by neutron powder diffraction |
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T = 4.2 K |
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_database_code_amcsd 0001807 |
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5.6740 15.1049 6.4909 90 118.513 90 *I2/a |
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.25 .25 .25 |
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atom x y z Biso |
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Ca .5 .07996 .25 .098 |
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S 0 .07667 .75 .104 |
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O1 .96413 .13282 .55028 .297 |
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O2 .75763 .02194 .66427 .280 |
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Ow .38342 .17240 .46179 .318 |
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D1 .25369 .16662 .50769 1.428 |
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D2 .40549 .24481 .49322 1.288 |
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| Download AMC data (View Text File)
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Gypsum |
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Schofield P F, Knight K S, Stretton I C |
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American Mineralogist 81 (1996) 847-851 |
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Thermal expansion of gypsum investigated by neutron powder diffraction |
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T = 150 K |
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_database_code_amcsd 0001808 |
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5.6742 15.1236 6.5018 90 118.495 90 *I2/a |
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.25 .25 .25 |
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atom x y z Biso |
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Ca .5 .07984 .25 .207 |
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S 0 .07695 .75 .237 |
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O1 .96371 .13292 .55070 .602 |
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O2 .75753 .02170 .66443 .518 |
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Ow .38222 .18229 .46024 .795 |
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D1 .25341 .16210 .50655 1.911 |
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D2 .40493 .24446 .49252 1.728 |
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| Download AMC data (View Text File)
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Gypsum |
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Schofield P F, Knight K S, Stretton I C |
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American Mineralogist 81 (1996) 847-851 |
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Thermal expansion of gypsum investigated by neutron powder diffraction |
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T = 320 K |
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_database_code_amcsd 0001809 |
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5.6769 15.2074 6.5277 90 118.494 90 *I2/a |
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.25 .25 .25 |
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atom x y z Biso |
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Ca .5 .07864 .25 .570 |
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S 0 .07872 .75 .504 |
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O1 .96164 .13263 .55120 1.177 |
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O2 .75714 .02154 .66527 .970 |
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Ow .37837 .18255 .46544 1.749 |
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D1 .25043 .16150 .50086 3.520 |
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D2 .40225 .24347 .49003 3.074 |
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Gypsum |
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Comodi P, Nazzareni S, Zanazzi P F, Speziale S |
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American Mineralogist 93 (2008) 1530-1537 |
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High-pressure behavior of gypsum: A single-crystal X-ray study |
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Locality: Valle di Caramanico, Abruzzo, Italy |
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Note: P = 0.0001 GPa |
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_database_code_amcsd 0004651 |
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6.277 15.181 5.672 90 114.11 90 C2/c |
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atom x y z Uiso |
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Ca 0 .17050 .25 .0117 |
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S 0 .32727 .75 .0099 |
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O1 .08319 .27218 .59103 .0169 |
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O2 .19997 .38195 .91298 .0169 |
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OW -.20823 .06826 -.07831 .0241 |
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H1 -.258 .087 -.234 .033 |
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H2 -.244 .020 -.077 .044 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Gypsum |
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Comodi P, Nazzareni S, Zanazzi P F, Speziale S |
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American Mineralogist 93 (2008) 1530-1537 |
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High-pressure behavior of gypsum: A single-crystal X-ray study |
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Locality: Valle di Caramanico, Abruzzo, Italy |
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Note: P = 0.25 GPa |
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_database_code_amcsd 0004652 |
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6.282 15.175 5.673 90 114.13 90 C2/c |
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atom x y z Uiso |
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Ca 0 .1697 .25 .009 |
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S 0 .3285 .75 .007 |
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O1 .084 .272 .592 .012 |
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O2 .200 .383 .914 .013 |
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WatOW -.211 .066 -.081 .020 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Gypsum |
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Comodi P, Nazzareni S, Zanazzi P F, Speziale S |
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American Mineralogist 93 (2008) 1530-1537 |
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High-pressure behavior of gypsum: A single-crystal X-ray study |
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Locality: Valle di Caramanico, Abruzzo, Italy |
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Note: P = 0.33 GPa |
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_database_code_amcsd 0004653 |
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6.269 15.140 5.665 90 114.10 90 C2/c |
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atom x y z Uiso |
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Ca 0 .1709 .25 .011 |
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S 0 .3267 .75 .008 |
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O1 .085 .273 .591 .010 |
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O2 .200 .383 .916 .011 |
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WatOW -.209 .066 -.082 .026 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Gypsum |
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Comodi P, Nazzareni S, Zanazzi P F, Speziale S |
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American Mineralogist 93 (2008) 1530-1537 |
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High-pressure behavior of gypsum: A single-crystal X-ray study |
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Locality: Valle di Caramanico, Abruzzo, Italy |
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Note: P = 0.56 GPa |
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_database_code_amcsd 0004654 |
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6.263 15.163 5.662 90 114.24 90 C2/c |
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atom x y z Uiso |
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Ca 0 .1711 .25 .009 |
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S 0 .3288 .75 .006 |
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O1 .082 .276 .591 .010 |
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O2 .203 .387 .917 .012 |
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WatOW -.213 .069 -.082 .023 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Gypsum |
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Comodi P, Nazzareni S, Zanazzi P F, Speziale S |
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American Mineralogist 93 (2008) 1530-1537 |
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High-pressure behavior of gypsum: A single-crystal X-ray study |
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Locality: Valle di Caramanico, Abruzzo, Italy |
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Note: P = 1.01 GPa |
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_database_code_amcsd 0004655 |
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6.241 15.130 5.645 90 114.42 90 C2/c |
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atom x y z Uiso |
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Ca 0 .1696 .25 .010 |
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S 0 .3268 .75 .008 |
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O1 .084 .272 .590 .009 |
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O2 .200 .382 .915 .012 |
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WatOW -.213 .063 -.080 .020 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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Gypsum |
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Comodi P, Nazzareni S, Zanazzi P F, Speziale S |
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American Mineralogist 93 (2008) 1530-1537 |
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High-pressure behavior of gypsum: A single-crystal X-ray study |
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Locality: Valle di Caramanico, Abruzzo, Italy |
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Note: P = 2.03 GPa |
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_database_code_amcsd 0004656 |
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6.200 15.010 5.610 90 114.86 90 C2/c |
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atom x y z Uiso |
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Ca 0 .1690 .25 .010 |
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S 0 .3270 .75 .008 |
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O1 .082 .271 .591 .014 |
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O2 .201 .384 .918 .012 |
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WatOW -.217 .064 -.079 .013 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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Gypsum |
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Comodi P, Nazzareni S, Zanazzi P F, Speziale S |
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American Mineralogist 93 (2008) 1530-1537 |
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High-pressure behavior of gypsum: A single-crystal X-ray study |
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Locality: Valle di Caramanico, Abruzzo, Italy |
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Note: P = 3.15 GPa |
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_database_code_amcsd 0004657 |
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6.162 14.965 5.580 90 115.38 90 C2/c |
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atom x y z Uiso |
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Ca 0 .1679 .25 .010 |
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S 0 .3266 .75 .008 |
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O1 .088 .270 .590 .012 |
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O2 .205 .386 .920 .010 |
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WatOW -.222 .062 -.078 .018 |
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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) |
| |
|
Gypsum |
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Comodi P, Nazzareni S, Zanazzi P F, Speziale S |
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American Mineralogist 93 (2008) 1530-1537 |
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High-pressure behavior of gypsum: A single-crystal X-ray study |
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Locality: Valle di Caramanico, Abruzzo, Italy |
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Note: P = 3.94 GPa |
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_database_code_amcsd 0004658 |
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6.136 14.912 5.556 90 115.73 90 C2/c |
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atom x y z Uiso |
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Ca 0 .1672 .25 .009 |
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S 0 .3255 .75 .005 |
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O1 .084 .272 .589 .011 |
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O2 .208 .384 .925 .013 |
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WatOW -.226 .063 -.078 .015 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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Gypsum |
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Knight K S, Stretton I C, Schofield P F |
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Physics and Chemistry of Minerals 26 (1999) 477-483 |
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Temperature evolution between 50 K and 320 K of the |
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thermal expansion tensor of gypsum derived from neutron powder |
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diffraction data |
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Sample: T = 320 K |
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_database_code_amcsd 0008228 |
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5.6769 15.2074 6.5277 90 118.494 90 *I2/a |
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.25 .25 .25 |
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atom x y z |
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Ca .5 .0786 .25 |
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S 0 .0787 .75 |
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O1 -.0384 .1326 .5512 |
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O2 .2429 .0215 .8347 |
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Ow .3784 .1825 .4554 |
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D1 .2504 .1615 .5009 |
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D2 .4022 .2435 .4900 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Gypsum |
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Pedersen B F, Semmingsen D |
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Acta Crystallographica B38 (1982) 1074-1077 |
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Neutron diffraction refinement of the structure of gypsum, CaSO4*2H2O |
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Locality: Hampshire, England |
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_database_code_amcsd 0020895 |
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5.679 15.202 6.522 90 118.43 90 *I2/a |
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.25 .25 .25 |
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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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Ca .5 .07967 .25 .0207 .0258 .0195 0 .0081 0 |
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S 0 .07705 .75 .0190 .0204 .0192 0 .0086 0 |
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O1 .96320 .13190 .55047 .0262 .0279 .0243 -.0011 .0123 .0044 |
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O2 .75822 .02226 .66709 .0222 .0270 .0254 -.0046 .0092 .0008 |
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OW .37960 .18212 .45881 .0391 .0294 .0391 .0001 .0253 -.0038 |
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H1 .25112 .16158 .50372 .0599 .0464 .0632 -.0012 .0432 .0018 |
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H2 .40458 .24275 .49217 .0596 .0383 .0714 -.0039 .0384 -.0085 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Gypsum |
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Wooster W |
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Zeitschrift fur Kristallographie 94 (1936) 375-396 |
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On the crystal structure of gypsum Ca S O4 (H2 O)2 |
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_cod_database_code 1010981 |
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_database_code_amcsd 0017897 |
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10.47 15.15 6.51 90 151.55 90 C2/c |
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atom x y z |
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Ca1 0 .42 .25 |
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S1 0 .083 -.25 |
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O1 .033 .14 -.018 |
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O2 .241 .026 .066 |
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O3 .128 .314 .165 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Gypsum |
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Boeyens J C A, Ichharam V V H |
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Zeitschrift fur Kristallographie 217 (2002) 9-10 |
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Redetermination of the crystal structure of calcium sulphate dihydrate, CaSO4*2H2O |
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Locality: synthetic |
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_database_code_amcsd 0011093 |
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6.284 15.200 6.523 90 127.41 90 C2/c |
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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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Ca .5 .07956 .75 .0105 .0124 .0104 0 .0057 0 |
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S 0 .07724 .75 .0084 .0108 .0090 0 .0046 0 |
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O1 .0372 .13198 .5872 .0163 .0187 .0145 .0006 .0093 .0052 |
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O2 .2424 .02211 .9092 .0115 .0179 .0172 .0052 .0075 .0068 |
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OW .6202 .18197 .0784 .0304 .0182 .0157 .0013 .0099 -.0028 |
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H1 .749 .162 .251 .031 |
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H2 .584 .235 .073 .057 |
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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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