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Partheite |
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Lazic B, Armbruster T, Liebich B W, Perfler L |
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American Mineralogist 97 (2012) 1866-1873 |
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Hydrogen-bond system and dehydration behavior of the natural zeolite partheite |
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Note: room temperature |
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Locality: Denezhkin Kamen, Urals Region, Russia |
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_database_code_amcsd 0019713 |
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21.5474 8.75638 9.30578 90 91.5524 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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Ca1 .35596 .19896 .04443 .01130 .0126 .0107 .0105 -.0031 -.0020 .0002 |
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Al1 .11617 .08403 .60078 .00693 .0072 .0079 .0058 .0005 .0010 .0013 |
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Al2 .19981 .31654 .28577 .00626 .0068 .0064 .0055 -.0009 .0001 .0004 |
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Si1 .06721 .18348 .28940 .00653 .0059 .0079 .0059 .0000 .0005 .0002 |
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Si2 .23984 .00789 .46198 .00596 .0062 .0061 .0057 .0009 .0007 -.0003 |
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O1 .06952 .0168 .21617 .0098 .0094 .0107 .0095 -.0003 .0044 -.0017 |
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O2 .07252 .1721 .46320 .0100 .0106 .0117 .0076 .0026 .0004 .0008 |
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O3 .12242 .2886 .22936 .0094 .0075 .0110 .0096 -.0020 .0000 .0012 |
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O4 .17245 .0354 .02491 .0093 .0065 .0097 .0119 .0004 .0037 -.0005 |
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O5 .20795 .46651 .40976 .0090 .0101 .0085 .0084 .0004 -.0016 -.0011 |
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O6 .23450 .1559 .36083 .0109 .0139 .0090 .0099 .0012 -.0002 .0045 |
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O7 .23371 .3601 .12194 .0084 .0112 .0089 .0053 -.0031 .0023 .0003 |
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O8 0 .2627 .25 .0082 .0046 .0088 .0112 0 -.0006 0 |
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O9 .35277 .2676 .2914 .0125 .0123 .0139 .0114 -.0051 .0011 -.0023 |
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O10 .07184 .5030 .0158 .0342 .0301 .0124 .0604 .0015 .0062 .0054 |
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O11 .45417 .3049 .0797 .0212 .0145 .0265 .0231 -.0073 .0081 -.0139 |
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H1 .4552 .387 .141 .038 |
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H2 .4911 .312 .033 .051 |
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H3 .3205 .216 .327 .034 |
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H4 .051 .466 .095 .18 |
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H5 .0772 .609 .014 .060 |
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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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Partheite |
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Lazic B, Armbruster T, Liebich B W, Perfler L |
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American Mineralogist 97 (2012) 1866-1873 |
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Hydrogen-bond system and dehydration behavior of the natural zeolite partheite |
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Note: T = 150 C |
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Locality: Denezhkin Kamen, Urals Region, Russia |
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_database_code_amcsd 0019714 |
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21.524 8.667 9.292 90 91.067 90 C2/c |
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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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Ca1 .35172 .21062 .04383 .0213 .0248 .0222 .0168 -.0051 -.0038 .0010 |
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Al1 .11439 .09085 .60152 .0149 .0118 .0185 .0144 .0007 -.0006 .0006 |
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Al2 .19875 .31896 .28582 .0139 .0142 .0156 .0119 .0000 -.0013 -.0008 |
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Si1 .06687 .18563 .28767 .0154 .0105 .0203 .0154 .0010 -.0014 -.0012 |
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Si2 .24008 .01065 .46284 .0139 .0120 .0164 .0133 .0007 -.0006 -.0006 |
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O1 .06940 .0181 .2143 .0202 .0141 .022 .025 -.0023 .0065 -.0071 |
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O2 .07327 .1748 .4609 .0208 .022 .029 .0117 .0065 -.0016 .0025 |
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O3 .12215 .2932 .2225 .0178 .0097 .025 .0186 -.0046 .0000 .0004 |
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O4 .17264 .0304 .0293 .0161 .0111 .020 .0176 -.0040 .0045 -.0005 |
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O5 .20593 .4691 .4126 .0165 .0163 .017 .0163 .0015 -.0045 -.0031 |
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O6 .23476 .1580 .3608 .0184 .022 .0161 .0173 .0027 .0000 .0038 |
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O7 .23635 .3586 .1232 .0163 .015 .0190 .0147 -.0006 -.0005 .0024 |
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O8 0 .2671 .25 .0185 .015 .019 .022 0 -.002 0 |
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O9 .35323 .2632 .2884 .0256 .021 .033 .022 -.0074 -.0001 -.0036 |
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O11A .0402 .333 -.078 .27 .092 .039 .15 .082 .037 .033 .04 |
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O11B .4544 .2796 .0813 .73 .037 .017 .065 .030 -.008 .008 -.014 |
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H1 .492 .266 .033 .73 .050 |
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H2 .467 .368 .132 .73 .050 |
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H3 .3168 .224 .330 .05 |
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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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Partheite |
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Lazic B, Armbruster T, Liebich B W, Perfler L |
| |
American Mineralogist 97 (2012) 1866-1873 |
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Hydrogen-bond system and dehydration behavior of the natural zeolite partheite |
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Note: T = 275 C |
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Locality: Denezhkin Kamen, Urals Region, Russia |
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_database_code_amcsd 0019715 |
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20.82 9.350 8.359 90 78.86 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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Ca1 .3381 .1878 .0636 .0485 .064 .059 .029 -.004 -.023 -.003 |
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Al1 .0925 .1123 .6391 .0452 .066 .047 .028 -.003 -.023 .000 |
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Al2 .2041 .3130 .2866 .0419 .058 .044 .028 .001 -.018 .002 |
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Si1 .0624 .2007 .2969 .0438 .058 .048 .032 .007 -.023 -.005 |
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Si2 .2415 .0525 .4526 .0394 .060 .033 .032 .002 -.026 -.005 |
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O1 .0697 .0570 .3036 .090 .122 .065 .096 .023 -.054 -.041 |
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O2 .0539 .1847 .4903 .045 .063 .046 .030 -.003 -.015 .014 |
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O3 .1291 .2954 .2252 .050 .058 .068 .029 -.004 -.024 .007 |
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O4 .1760 -.0984 .0659 .055 .050 .050 .068 -.008 -.023 .012 |
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O5 .1968 .4310 .4506 .043 .048 .049 .036 -.004 -.022 -.001 |
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O6 .2525 .1574 .2924 .044 .066 .050 .025 -.005 -.026 .004 |
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O7 .2539 .3842 .3906 .040 .056 .044 .025 -.006 -.023 .004 |
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O8 0 .2869 .25 .037 .056 .024 .032 .000 -.013 .000 |
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O9 .4178 .2720 .1886 .064 .077 .093 .026 .002 -.023 -.026 |
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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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Partheite |
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Engel N, Yvon K |
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Zeitschrift fur Kristallographie 169 (1984) 165-175 |
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The crystal structure of partheite |
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Locality: Taurus mountains, Southwest Turkey |
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_database_code_amcsd 0010873 |
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21.5550 8.761 9.304 90 91.55 90 C2/c |
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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 .35586 .1991 .0444 .0122 .0130 .0099 -.0048 -.0023 .0010 |
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Al1 .1161 .0844 .6006 .0073 .0077 .0063 -.0006 .0013 -.0003 |
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Al2 .1999 .3162 .2858 .009 .0055 .0049 .0008 -.0001 .0009 |
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Si1 .06729 .1832 .2896 .0046 .009 .0065 .0008 -.0007 .0004 |
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Si2 .23983 .0077 .4621 .0046 .0062 .0069 .0017 .0012 -.0001 |
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O1 .0695 .0181 .2162 .006 .013 .009 .002 .003 -.001 |
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O2 .0725 .1719 .4626 .008 .017 .007 .004 .000 .001 |
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O3 .1222 .2883 .2295 .011 .017 .006 -.004 .000 -.001 |
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O4 .1722 .0363 .0250 .011 .009 .013 .000 .007 -.002 |
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O5 .2081 .4669 .4096 .010 .006 .011 -.004 -.002 .001 |
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O6 .2345 .1550 .3605 .014 .007 .011 .003 .001 .005 |
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O7 .2340 .3599 .1221 .013 .009 .007 -.005 .001 .002 |
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O8 0 .2632 .25 .006 .007 .011 0 -.002 0 |
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OH .3523 .2673 .2918 .017 .016 .009 -.006 -.002 -.006 |
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Wat1 .0712 .5050 .0159 .028 .004 .068 -.002 .006 .001 |
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Wat2 .4541 .3070 .0800 .009 .025 .032 -.009 .012 -.007 |
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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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