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Hydrogarnet |
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Schropfer L, Bartl H |
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European Journal of Mineralogy 5 (1993) 1133-1144 |
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Oriented decomposition and reconstruction of hydrogarnet, Ca3.Al2.(OH)12 |
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Sample: specimen C12A7H15, intermediate phase resulting from the |
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decomposition of hydrogarnet. Ca12Al14O33(H2O)15 |
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_database_code_amcsd 0006504 |
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12.374 12.374 12.374 90 90 90 Ia-3d |
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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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Ca 0 1/4 1/8 .048 .048 .048 0 .000 0 |
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Al1 0 0 0 .057 .057 .057 .000 .000 .000 |
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Al2 -1/8 0 1/4 .5 .04 .045 .045 .000 .000 .000 |
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O -.0320 .0518 .1419 .6875 .065 .052 .062 .001 -.016 -.006 |
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Wat -.0320 .0518 .1419 .3125 .065 .052 .062 .001 -.016 -.006 |
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| Download AMC data (View Text File)
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Hydrogarnet |
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Schropfer L, Bartl H |
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European Journal of Mineralogy 5 (1993) 1133-1144 |
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Oriented decomposition and reconstruction of hydrogarnet, Ca3.Al2.(OH)12 |
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Sample: specimen C12A5.7H20, dehydration product of hydrogarnet after 3 weeks. |
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_database_code_amcsd 0006505 |
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12.458 12.458 12.458 90 90 90 Ia-3d |
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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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Ca 0 1/4 1/8 .025 .025 .029 .004 0 0 |
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Al1 0 0 0 .030 .030 .030 0 0 0 |
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Al2 -1/8 0 1/4 .283 .012 .032 .032 0 0 0 |
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O -.0295 .0522 .1406 .031 .029 .034 .002 -.002 .001 |
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H -.082 .048 .166 .800 .04 |
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| Download AMC data (View Text File)
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Garronite |
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Schropfer L, Joswig W |
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European Journal of Mineralogy 9 (1997) 53-66 |
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Structure analyses of a partially dehydrated synthetic |
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Ca-garronite single crystal under different T, pH2O conditions |
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Sample: GAR25/20, T = 25 C, 60% relative humidity |
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_database_code_amcsd 0006644 |
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9.873 9.873 10.288 90 90 90 *I4_1/a |
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0 .25 .125 |
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atom x y z occ Uiso |
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Ca .0656 .0873 .6484 .175 .055 |
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AlT .65156 .58276 .63518 .354 .0121 |
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SiT .65156 .58276 .63518 .646 .0121 |
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O1 .6887 .7382 .5902 .0339 |
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O2 .7088 .4802 .5211 .0297 |
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Wat1 -.003 .937 .503 .11 .07 |
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Wat2 .034 .794 .471 .12 .15 |
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Wat3 .010 .833 .547 .30 .11 |
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Wat4 .013 .518 .450 .15 .08 |
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Wat5 -.005 .607 .415 .18 .16 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Garronite |
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Schropfer L, Joswig W |
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European Journal of Mineralogy 9 (1997) 53-66 |
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Structure analyses of a partially dehydrated synthetic |
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Ca-garronite single crystal under different T, pH2O conditions |
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Sample: GAR25/27, T = 25 C, 80% relative humidity |
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_database_code_amcsd 0006645 |
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9.912 9.912 10.303 90 90 90 *I4_1/a |
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0 .25 .125 |
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atom x y z occ Uiso |
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AlT .65380 .58573 .63171 .354 .0121 |
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SiT .65380 .58573 .63171 .646 .0121 |
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O1 .6871 .7422 .5888 .032 |
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O2 .7075 .4871 .5136 .0295 |
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Ca .0648 .0875 .6440 .175 .062 |
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Wat1 -.003 .930 .503 .11 .07 |
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Wat2 .022 .801 .472 .12 .17 |
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Wat3 .008 .829 .558 .30 .14 |
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Wat4 .015 .515 .450 .15 .09 |
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Wat5 -.011 .603 .397 .18 .11 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Garronite |
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Schropfer L, Joswig W |
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European Journal of Mineralogy 9 (1997) 53-66 |
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Structure analyses of a partially dehydrated synthetic |
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Ca-garronite single crystal under different T, pH2O conditions |
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Sample: GAR145/27, T = 145 C, 27 mbar pH2O |
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_database_code_amcsd 0006646 |
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9.790 9.790 9.097 90 90 90 P4_12_12 |
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atom x y z occ Uiso |
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AlT1 .56293 .56293 0 .354 .0137 |
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SiT1 .56293 .56293 0 .646 .0137 |
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AlT2 .63562 .06608 .34790 .354 .0136 |
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SiT2 .63562 .06608 .34790 .646 .0136 |
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AlT3 .63170 .36830 1/4 .354 .0154 |
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SiT3 .63170 .36830 1/4 .646 .0154 |
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O1 .5591 .6961 .1109 .0327 |
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O2 .5721 .0737 .5167 .0303 |
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O3 .5935 .2037 .2548 .0347 |
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O4 .5536 .4230 .1002 .0332 |
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Ca1 .2127 .9277 .1593 .253 .0280 |
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Ca2 .2965 .9794 .2414 .101 .068 |
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OW .1882 .3088 .8618 .888 .076 |
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H1 .253 .322 .913 .888 .14 |
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H2 .160 .248 .866 .888 .14 |
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| Download AMC data (View Text File)
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Hannebachite |
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Schropfer L |
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Zeitschrift fur Anorganische und Allgemeine Chemie 401 (1973) 1-14 |
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Strukturelle untersuchungen an CaSO3*1/2H2O |
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Locality: synthetic |
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_database_code_amcsd 0015778 |
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6.4844 9.8123 10.6629 90 90 90 Pbna |
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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 .5134 .1318 .1459 .0090 .0118 .0083 -.0004 -.0008 .0002 |
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S .1691 .3847 .1287 .0099 .0089 .0135 -.0010 .0009 .0000 |
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O1 .3665 .4008 .0517 .027 .026 .019 -.007 .009 -.007 |
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O2 .2101 .2607 .2099 .020 .014 .027 .002 .004 .006 |
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O3 .1811 .5067 .2147 .023 .015 .031 -.002 .007 -.011 |
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Ow .2562 .25 .5 .014 .029 .027 0 0 -.009 |
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H .3425 .2934 .5626 |
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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
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