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Clinotobermorite |
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Merlino S, Bonaccorsi E, Armbruster T |
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American Mineralogist 84 (1999) 1613-1621 |
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Tobermorites: Their real structure and order-disorder (OD) character |
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_database_code_amcsd 0002328 |
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11.274 7.344 11.468 99.18 97.19 90.03 C1 |
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atom x y z Uiso |
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Si1 .8931 .2046 .1839 .0014 |
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Si1A -.8941 -.2096 -.1841 .0014 |
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Si2 .9963 -.0362 .3553 .0056 |
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Si2A -.9950 .0383 -.3608 .0056 |
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Si3 .8949 -.3726 .1869 .0018 |
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Si3A -.8946 .3688 -.1859 .0018 |
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O1 .913 .124 .310 .013 |
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O1A -.916 -.128 -.309 .013 |
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O11 .919 -.229 .316 .010 |
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O11A -.912 .227 -.309 .010 |
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O2 .771 -.343 .115 .004 |
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O2A -.767 .348 -.108 .004 |
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O21 .765 .149 .106 .008 |
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O21A -.767 -.151 -.111 .008 |
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O3 .005 -.355 .111 .005 |
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O3A .003 .357 -.106 .005 |
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O31 .002 .155 .099 .004 |
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O31A .005 -.161 -.105 .004 |
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O4 .891 .431 .237 .009 |
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O4A -.895 -.432 -.238 .009 |
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O5 .009 -.002 .497 .014 |
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O6 .127 -.041 .311 .014 |
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O6A -.124 .053 -.319 .014 |
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Wat6 -.335 -.051 -.683 .092 |
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Wat6A .342 .043 .699 .092 |
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Ca1 .3640 .1072 .9228 .0023 |
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Ca1A -.3634 -.1042 -.9134 .0023 |
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Ca3 .8679 .0998 .8981 .0024 |
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Ca3A -.8711 -.1001 -.9069 .0024 |
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Ca2 .3113 -.0177 .4289 .025 |
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Wat5 .514 .009 .511 .023 |
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Wat7 .260 -.238 .537 .054 |
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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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Clinotobermorite |
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Merlino S, Bonaccorsi E, Armbruster T |
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European Journal of Mineralogy 12 (2000) 411-429 |
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The real structure of clinotobermorite and tobermorite 9 A: |
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OD character, polytypes, and structural relationships |
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Sample: MDO2 data collected at Pisa |
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_database_code_amcsd 0006830 |
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11.274 7.344 11.468 99.18 97.19 90.02 C1 |
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atom x y z Uiso |
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Ca1 .3640 .1072 .9228 .0023 |
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Ca1A -.3634 -.1042 -.9134 .0023 |
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Ca3 .8679 .0998 .8981 .0024 |
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Ca3A -.8711 -.1001 -.9069 .0024 |
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Ca2 .3113 -.0177 .4289 .025 |
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Si1 .8931 .2046 .1839 .0014 |
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Si1A -.8941 -.2096 -.1841 .0014 |
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Si2 .9963 -.0362 .3553 .0056 |
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Si2A -.9950 .0383 -.3608 .0056 |
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Si3 .8949 -.3726 .1869 .0018 |
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Si3A -.8946 .3688 -.1859 .0018 |
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O1 .913 .124 .310 .013 |
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O1A -.916 -.128 -.309 .013 |
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O11 .919 -.229 .316 .010 |
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O11A -.912 .227 -.309 .010 |
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O2 .771 -.343 .115 .004 |
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O2A -.767 .349 -.108 .004 |
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O21 .765 .149 .106 .008 |
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O21A -.767 -.151 -.111 .008 |
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O3 .005 -.355 .111 .005 |
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O3A .003 .357 -.106 .005 |
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O31 .002 .155 .099 .004 |
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O31A .005 -.161 -.105 .004 |
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O4 .891 .431 .237 .009 |
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O4A -.895 -.432 -.238 .009 |
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O5 .009 -.002 .497 .014 |
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Wat5 .514 .009 .511 .023 |
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O6 .127 -.041 .311 .014 |
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O6A -.124 .053 -.319 .014 |
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Wat6 -.335 -.051 -.683 .092 |
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Wat6A .342 .043 .699 .092 |
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Wat7 .260 -.238 .537 .054 |
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Wat8 .260 .257 .535 .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) |
| |
|
Clinotobermorite |
|
Merlino S, Bonaccorsi E, Armbruster T |
| |
European Journal of Mineralogy 12 (2000) 411-429 |
|
The real structure of clinotobermorite and tobermorite 9 A: |
|
OD character, polytypes, and structural relationships |
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Sample: MDO2 data collected at Bern |
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_database_code_amcsd 0006831 |
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11.273 7.350 11.498 99.17 97.19 89.97 C1 |
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atom x y z Uiso |
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Ca1 .3617 .1076 .9233 .0029 |
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Ca1A -.3643 -.1044 -.9149 .0029 |
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Ca3 .8709 .0988 .8976 .0025 |
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Ca3A -.8694 -.1010 -.9056 .0025 |
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Ca2 .3118 -.0190 .4273 .026 |
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Si1 .8933 .2067 .1829 .0016 |
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Si1A -.8926 -.2073 -.1841 .0016 |
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Si2 .9969 -.0381 .3577 .0066 |
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Si2A -.9938 .0376 -.3586 .0066 |
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Si3 .8949 -.3723 .1877 .0051 |
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Si3A -.8962 .3702 -.1872 .0051 |
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O1 .913 .125 .311 .009 |
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O1A -.914 -.122 -.306 .009 |
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O11 .914 -.221 .314 .012 |
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O11A -.916 .230 -.312 .012 |
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O2 .770 -.349 .110 .004 |
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O2A -.769 .346 -.114 .004 |
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O21 .764 .153 .110 .007 |
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O21A -.769 -.148 -.105 .007 |
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O3 .003 -.351 .113 .005 |
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O3A .001 .358 -.106 .005 |
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O31 .002 .154 .099 .005 |
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O31A .004 -.161 -.104 .005 |
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O4 .891 .429 .236 .008 |
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O4A -.895 -.432 -.237 .008 |
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O5 .009 -.005 .498 .017 |
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Wat5 .508 .009 .508 .026 |
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O6 .122 -.041 .310 .010 |
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O6A -.128 .046 -.320 .010 |
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Wat6 -.335 -.063 -.691 .072 |
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Wat6A .335 .041 .695 .072 |
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Wat7 .258 -.231 .542 .045 |
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Wat8 .262 .250 .532 .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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Clinotobermorite |
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Merlino S, Bonaccorsi E, Armbruster T |
| |
European Journal of Mineralogy 12 (2000) 411-429 |
|
The real structure of clinotobermorite and tobermorite 9 A: |
|
OD character, polytypes, and structural relationships |
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Sample: MDO1 data collected at Pisa |
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_database_code_amcsd 0006832 |
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11.276 7.343 22.642 90 97.28 90 Cc |
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atom x y z Uiso |
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Ca1 .8651 .380 .4620 .0061 |
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Ca1A .1370 .368 .0427 .0061 |
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Ca3 .8671 .881 .4482 .0054 |
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Ca3A .1288 .870 .0469 .0054 |
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Ca2 .8120 .377 .2147 .028 |
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Si1 .8908 .841 .5914 .001 |
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Si1A .1048 .833 .9105 .001 |
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Si2 .9982 .123 .6779 .010 |
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Si2A .0067 .129 .8199 .010 |
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Si3 .8972 .421 .5955 .003 |
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Si3A .1057 .410 .9055 .003 |
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O1 .909 .970 .653 .004 |
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O1A .081 .935 .846 .004 |
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O11 .925 .311 .661 .010 |
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O11A .091 .302 .845 .010 |
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O2 .769 .371 .551 .005 |
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O2A .230 .376 .938 .005 |
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O21 .766 .889 .557 .004 |
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O21A .234 .864 .951 .004 |
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O3 .006 .382 .558 .009 |
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O3A .004 .370 .950 .009 |
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O31 -.001 .866 .548 .001 |
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O31A -.002 .854 .943 .001 |
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O4 .893 .631 .618 .013 |
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O4A .108 .626 .882 .013 |
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O5 .009 .102 .749 .010 |
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Wat5 .015 .380 .255 .027 |
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O6 .130 .143 .655 .015 |
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O6A .878 .124 .839 .015 |
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Wat6 .155 .682 .655 .062 |
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Wat6A .838 .634 .849 .062 |
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Wat7 .756 .108 .265 .04 |
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Wat8 .760 .604 .272 .06 |
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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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Clinotobermorite |
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Hoffmann C, Armbruster T |
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Zeitschrift fur Kristallographie 212 (1997) 863-873 |
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Clinotobermorite, Ca5(Si3O8(OH))2*4(H2O) - Ca5(Si6O17)*5(H2O), |
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a natural C-S-H(I) type cement mineral: determination of the substructure |
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Locality: Wessels mine, Kalahari manganese field, South Africa |
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_cod_database_code 1000046 |
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_database_code_amcsd 0011075 |
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5.593 3.645 22.45599 90 96.97 90 I2/m |
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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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Ca1 .5282 0 .29487 .0173 .0125 .0283 0 .00799 0 |
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Ca2 .3385 0 .4632 .25 .0234 .057 .0213 0 .0034 0 |
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Si1 .4453 .0798 .15732 .5 .0124 .0120 .0151 -.0016 .0009 .0000 |
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Si2 .5628 .5 .07108 .5 .0181 .0152 .0138 0 .0024 0 |
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O2 .2304 0 .1953 .0152 .0167 .0217 0 .0046 0 |
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O3 .6957 0 .19738 .0142 .0194 .0193 0 .0003 0 |
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O4 .4156 .5 .1313 .5 .0255 .0133 .0184 0 -.0001 0 |
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O5 .5 .5 0 .052 .040 .0213 0 -.0008 0 |
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O6 .841 .5 .0925 .5 .0189 .033 .025 0 .0034 0 |
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O7 .921 .5 .0950 .5 .042 .140 .040 0 -.003 0 |
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O8 .495 .5 .4805 .5 .030 .068 .091 0 -.017 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 (permalink) |
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