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Sursassite |
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Nagashima M, Akasaka M, Minakawa T, Libowitzky E, Armbruster T |
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American Mineralogist 94 (2009) 1440-1449 |
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Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth |
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Locality: Falotta, Switzerland |
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Sample Number: 1 |
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_database_code_amcsd 0004986 |
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8.7201 5.8053 9.8075 90 109.011 90 P2_1/m |
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atom x y z occ |
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Mn1 .16884 .25 .31355 |
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Mn2 .27223 .25 .67531 |
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Al1 .5 0 .5 |
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Al2 .5 0 0 |
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Al3 0 .5 0 |
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Si1 .30787 .75 .19109 |
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Si2 .20691 .75 .80740 |
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Si3 .15557 .75 .49480 |
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O1 .2608 .5139 .5013 |
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O2 .1916 .5248 .1631 |
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O3 .3146 .5180 .8332 |
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O4 .4148 .75 .0810 |
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O5 .4491 .75 .3517 |
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O6 .0844 .25 .9289 |
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O7 .4379 .25 .3690 |
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O8 .0718 .75 .8926 |
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O9 .0902 .75 .6360 |
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O10 -.0103 .75 .3573 |
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O11 .4114 .25 .0713 |
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H6A .05 .25 .8235 .5 |
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H6B .203 .25 .952 .5 |
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H7 .454 .25 .275 |
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H11A .294 .25 .052 .5 |
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H11B .40 .254 .168 .25 |
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Sursassite |
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Nagashima M, Akasaka M, Minakawa T, Libowitzky E, Armbruster T |
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American Mineralogist 94 (2009) 1440-1449 |
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Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth |
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Locality: New Brunswick, Canada |
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Sample Number: 2 |
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_database_code_amcsd 0004987 |
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8.709 5.7939 9.779 90 108.953 90 P2_1/m |
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atom x y z |
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Mn1 .1700 .25 .3131 |
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Mn2 .2717 .25 .6748 |
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Al1 .5 0 .5 |
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Al2 .5 0 0 |
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Al3 0 .5 0 |
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Si1 .3072 .75 .1917 |
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Si2 .2065 .75 .8067 |
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Si3 .1545 .75 .4941 |
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O1 .2601 .5132 .5005 |
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O2 .1907 .5246 .1630 |
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O3 .3142 .5177 .8332 |
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O4 .4141 .75 .0807 |
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O5 .4487 .75 .3515 |
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O6 .0848 .25 .9294 |
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O7 .4373 .25 .3690 |
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O8 .0714 .75 .8935 |
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O9 .0893 .75 .6366 |
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O10 -.0112 .75 .3565 |
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O11 .4121 .25 .0728 |
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H6A .06 .25 .824 |
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H7 .44 .25 .269 |
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H11A .2932 .25 .034 |
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Sursassite |
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Nagashima M, Akasaka M, Minakawa T, Libowitzky E, Armbruster T |
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American Mineralogist 94 (2009) 1440-1449 |
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Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth |
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Locality: Kamisugai, Japan |
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Sample Number: 3 |
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_database_code_amcsd 0004988 |
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8.7278 5.8065 9.8121 90 109.060 90 P2_1/m |
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atom x y z |
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Mn1 .1706 .25 .31322 |
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Mn2 .2763 .25 .67528 |
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Al1 .5 0 .5 |
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Al2 .5 0 0 |
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Al3 0 .5 0 |
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Si1 .3071 .75 .1906 |
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Si2 .2071 .75 .8072 |
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Si3 .1532 .75 .4952 |
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O1 .2566 .5130 .5004 |
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O2 .1908 .5258 .1628 |
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O3 .3151 .5191 .8328 |
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O4 .4142 .75 .0800 |
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O5 .4492 .75 .3492 |
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OH6 .0841 .25 .9283 |
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OH7 .4373 .25 .3682 |
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O8 .0726 .75 .8938 |
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O9 .0886 .75 .6369 |
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O10 -.0131 .75 .3569 |
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OH11 .4106 .25 .0696 |
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| Download AMC data (View Text File)
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Sursassite |
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Nagashima M, Akasaka M, Minakawa T, Libowitzky E, Armbruster T |
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American Mineralogist 94 (2009) 1440-1449 |
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Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth |
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Locality: Kamogawa, Japan |
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Sample Number: 4 |
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_database_code_amcsd 0004989 |
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8.7065 5.7978 9.7946 90 108.938 90 P2_1/m |
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atom x y z occ |
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Mn1 .16902 .25 .31367 |
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Mn2 .27275 .25 .67567 |
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Al1 .5 0 .5 |
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Al2 .5 0 0 |
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Al3 0 .5 0 |
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Si1 .3071 .75 .1913 |
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Si2 .2067 .75 .8080 |
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Si3 .1554 .75 .4950 |
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O1 .2607 .5138 .5017 |
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O2 .1907 .5248 .1628 |
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O3 .3145 .5180 .8339 |
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O4 .4152 .75 .0820 |
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O5 .4484 .75 .3521 |
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O6 .0843 .25 .9291 |
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O7 .4381 .25 .3684 |
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O8 .0720 .75 .8943 |
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O9 .0899 .75 .6370 |
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O10 -.0107 .75 .3575 |
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O11 .4119 .25 .0717 |
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H6A .06 .25 .824 .5 |
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H6B .199 .25 .94 .5 |
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H7 .44 .25 .268 |
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H11A .297 .25 .06 .5 |
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H11B .43 .25 .176 .5 |
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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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Sursassite |
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Nagashima M, Akasaka M, Minakawa T, Libowitzky E, Armbruster T |
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American Mineralogist 94 (2009) 1440-1449 |
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Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth |
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Locality: Molinello, Italy |
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Sample Number: 5 |
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_database_code_amcsd 0004990 |
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8.6982 5.7887 9.7777 90 108.918 90 P2_1/m |
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atom x y z occ |
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Mn1 .16738 .25 .31398 |
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Mn2 .26707 .25 .67527 |
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Al1 .5 0 .5 |
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Al2 .5 0 0 |
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Al3 0 .5 0 |
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Si1 .3078 .75 .1925 |
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Si2 .2069 .75 .8078 |
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Si3 .1573 .75 .4944 |
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O1 .2654 .5140 .5027 |
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O2 .1916 .5238 .1637 |
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O3 .3143 .5174 .8342 |
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O4 .4154 .75 .0823 |
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O5 .4482 .75 .3542 |
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O6 .0848 .25 .9295 |
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O7 .4390 .25 .3692 |
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O8 .0717 .75 .8940 |
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O9 .0912 .75 .6363 |
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O10 -.0074 .75 .3574 |
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O11 .4129 .25 .0738 |
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H6A .05 .25 .824 .5 |
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H6B .201 .25 .94 .5 |
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H7 .325 .25 .31 |
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H11A .295 .25 .05 .5 |
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H11B .40 .25 .168 .5 |
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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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Sursassite |
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Nagashima M, Akasaka M, Minakawa T, Libowitzky E, Armbruster T |
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American Mineralogist 94 (2009) 1440-1449 |
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Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth |
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Locality: Molinello, Italy |
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Sample Number: 6 |
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_database_code_amcsd 0004991 |
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8.716 5.799 9.794 90 108.985 90 P2_1/m |
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atom x y z |
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Mn1 .1699 .25 .3132 |
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Mn2 .2716 .25 .6753 |
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Al1 .5 0 .5 |
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Al2 .5 0 0 |
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Al3 0 .5 0 |
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Si1 .3072 .75 .1919 |
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Si2 .2064 .75 .8076 |
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Si3 .1545 .75 .4945 |
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O1 .2617 .514 .5015 |
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O2 .1912 .525 .1639 |
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O3 .3134 .521 .8328 |
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O4 .414 .75 .0805 |
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O5 .448 .75 .351 |
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OH6 .085 .25 .9288 |
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OH7 .438 .25 .3695 |
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O8 .0732 .75 .8939 |
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O9 .0901 .75 .6376 |
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O10 -.008 .75 .3568 |
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OH11 .413 .25 .0723 |
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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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Sursassite |
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Nagashima M, Akasaka M, Minakawa T, Libowitzky E, Armbruster T |
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American Mineralogist 94 (2009) 1440-1449 |
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Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth |
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Locality: Gambatesa, Italy |
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Sample Number: 7 |
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_database_code_amcsd 0004992 |
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8.715 5.7981 9.798 90 108.879 90 P2_1/m |
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atom x y z |
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Mn1 .1677 .25 .3142 |
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Mn2 .2693 .25 .6760 |
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Al1 .5 0 .5 |
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Al2 .5 0 0 |
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Al3 0 .5 0 |
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Si1 .3074 .75 .1923 |
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Si2 .2066 .75 .8077 |
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Si3 .1566 .75 .4947 |
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O1 .2638 .5135 .5027 |
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O2 .1912 .5245 .1631 |
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O3 .3146 .5184 .8353 |
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O4 .4161 .75 .0829 |
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O5 .4459 .75 .3532 |
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OH6 .0845 .25 .9291 |
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O7 .4391 .25 .3679 |
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O8 .0719 .75 .8934 |
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O9 .0921 .75 .6375 |
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O10 -.0078 .75 .3571 |
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O11 .4130 .25 .0731 |
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H7 .45 .25 .27 |
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H11B .48 .25 .176 |
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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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Sursassite |
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Gottschalk M, Fockenberg T, Grevel K-D, Wunder B, Wirth R, Schreyer W, Maresch W V |
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European Journal of Mineralogy 12 (2000) 935-945 |
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Crystal structure of the high-pressure phase Mg4(MgAl)Al4[Si6O21/(OH)7]: |
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an analogue of sursassite |
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Sample: A53 |
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_database_code_amcsd 0006842 |
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8.5424 5.7117 9.6484 90 108.298 90 P2_1/m |
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atom x y z occ Uiso |
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MgM1 .1804 1/4 .3154 .005 |
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MgM2 .2765 1/4 .6718 .006 |
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AlM3 1/2 0 1/2 .58 .018 |
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MgM3 1/2 0 1/2 .42 .018 |
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AlM4 1/2 0 0 .005 |
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AlM5 0 0 0 .004 |
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SiT1 .3060 3/4 .1948 .0112 |
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SiT2 .2068 3/4 .8067 .0112 |
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SiT3 .1492 3/4 .4930 .0112 |
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O1 .251 .508 .498 .0054 |
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O2 .1898 .522 .1707 .0054 |
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O3 .3160 .514 .8243 .0054 |
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O4 .407 3/4 .0765 .0054 |
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O5 .457 3/4 .3586 .0054 |
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O6 .089 1/4 .9279 .0054 |
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O7 .442 1/4 .3632 .0054 |
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O8 .080 3/4 .8997 .0054 |
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O9 .076 3/4 .6357 .0054 |
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O10 -.026 3/4 .3549 .0054 |
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O11 .402 1/4 .0663 .0054 |
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H1 .145 1/4 .034 .01 |
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H2 .361 1/4 .263 .42 .01 |
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H3 -.107 3/4 .257 .01 |
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H4 .480 1/4 .166 .01 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
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Sursassite |
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Hatert F, Fransolet A M, Wouters J, Bernhardt H J |
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European Journal of Mineralogy 20 (2008) 993-998 |
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The crystal structure of sursassite from the Lienne Valley, |
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Stavelot Massif, Belgium |
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Locality: Lienne syncline, Stravelot Massif, Belgium |
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_database_code_amcsd 0007270 |
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8.697 5.787 9.769 90 108.91 90 P2_1/m |
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atom x y z occ Uiso |
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MnMn1 .1675 .25 .3137 .79 .0147 |
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CaMn1 .1675 .25 .3137 .21 .0147 |
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Mn2 .2675 .25 .6750 .0187 |
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AlAl1 .5 0 .5 .89 .0116 |
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MnAl1 .5 0 .5 .11 .0116 |
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Al2 .5 0 0 .0098 |
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Al3 0 .5 0 .0084 |
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Si1 .3074 .75 .1925 .0088 |
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Si2 .2067 .75 .8076 .0091 |
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Si3 .1557 .75 .4937 .0114 |
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O1 .2646 .5134 .5019 .0145 |
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O2 .1912 .5237 .1643 .0106 |
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O3 .3139 .5168 .8333 .0128 |
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O4 .4149 .75 .0821 .0092 |
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O5 .4491 .75 .3538 .0117 |
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O6 .0843 .25 .9292 .5 .0113 |
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OH6 .0843 .25 .9292 .5 .0113 |
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O7 .4385 .25 .3672 .5 .0125 |
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OH7 .4385 .25 .3672 .5 .0125 |
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O8 .0712 .75 .8939 .0102 |
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O9 .0919 .75 .6372 .0104 |
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OH10 -.0085 .75 .3568 .0170 |
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OH11 .4108 .25 .0742 .0121 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
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Sursassite |
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Mellini M, Merlino S, Pasero M |
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Physics and Chemistry of Minerals 10 (1984) 99-105 |
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X-ray and HRTEM study of sursassite: crystal structure, |
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stacking disorder, and sursassite-pumpellyite intergrowth |
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_database_code_amcsd 0007356 |
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8.70 5.79 9.78 90 108.9 90 P2_1/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn1 .1686 .25 .3143 .024 .010 .011 0 .002 0 |
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Mn2 .2684 .25 .6754 .034 .004 .006 0 .004 0 |
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Al1 .5 0 .5 .93 .013 .004 .005 .000 .002 .001 |
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Mn1 .5 0 .5 .07 .013 .004 .005 .000 .002 .001 |
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Al2 .5 0 0 .003 .002 .004 -.001 .002 .001 |
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Al3 0 .5 0 .9 .006 .004 .006 -.001 .001 -.001 |
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Mn3 0 .5 0 .1 .006 .004 .006 -.001 .001 -.001 |
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Si1 .3070 .75 .1919 .002 .003 .004 0 .001 0 |
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Si2 .2066 .75 .8078 .003 .002 .003 0 .001 0 |
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Si3 .1576 .75 .4941 .010 .004 .004 0 .004 0 |
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O1 .2664 .5146 .5024 .006 |
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O2 .1927 .5251 .1640 .005 |
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O3 .3138 .5164 .8340 .004 |
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O4 .4154 .75 .0822 .005 |
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O5 .4498 .75 .3555 .006 |
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O6 .0842 .25 .9315 .006 |
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O7 .4392 .25 .3683 .011 |
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O8 .0712 .75 .8949 .002 |
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O9 .0902 .75 .6359 .006 |
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O10 -.0055 .75 .3571 .008 |
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O11 .4133 .25 .0735 .005 |
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H1 .0765 .25 -.1370 .5 |
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H1' .0785 .25 .6434 .5 |
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H2 .3345 .25 .0863 .5 |
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H2' .1854 .25 -.0470 .5 |
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H3 .4423 .25 .2992 .5 |
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H3' .3401 .25 .1842 .5 |
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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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