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Gottardiite |
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Alberti A, Vezzalini G, Galli E, Quartieri S |
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European Journal of Mineralogy 8 (1996) 69-75 |
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The crystal structure of gottardiite, a new natural zeolite |
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Note: occupancies altered to match chemical formula |
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_database_code_amcsd 0006612 |
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13.698 25.213 22.660 90 90 90 Cmca |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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SiT1 0 .0804 .1973 .861 1.18 .013 .013 .019 0 0 -.002 |
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AlT1 0 .0804 .1973 .138 1.18 .013 .013 .019 0 0 -.002 |
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FeT1 0 .0804 .1973 .001 1.18 .013 .013 .019 0 0 -.002 |
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SiT2 0 .1784 .2828 .861 1.47 .014 .021 .021 0 0 -.004 |
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AlT2 0 .1784 .2828 .138 1.47 .014 .021 .021 0 0 -.004 |
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FeT2 0 .1784 .2828 .001 1.47 .014 .021 .021 0 0 -.004 |
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SiT3 0 .2884 .2204 .861 1.39 .021 .015 .017 0 0 -.003 |
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AlT3 0 .2884 .2204 .138 1.39 .021 .015 .017 0 0 -.003 |
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FeT3 0 .2884 .2204 .001 1.39 .021 .015 .017 0 0 -.003 |
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SiT4 0 .3841 .3023 .861 1.34 .012 .022 .017 0 0 -.007 |
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AlT4 0 .3841 .3023 .138 1.34 .012 .022 .017 0 0 -.007 |
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FeT4 0 .3841 .3023 .001 1.34 .012 .022 .017 0 0 -.007 |
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SiT5 0 .4818 .2235 .861 1.68 .030 .019 .015 0 0 .004 |
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AlT5 0 .4818 .2235 .138 1.68 .030 .019 .015 0 0 .004 |
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FeT5 0 .4818 .2235 .001 1.68 .030 .019 .015 0 0 .004 |
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SiT6 .2102 .0023 .3160 .861 1.95 .020 .030 .024 .004 -.005 .001 |
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AlT6 .2102 .0023 .3160 .138 1.95 .020 .030 .024 .004 -.005 .001 |
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FeT6 .2102 .0023 .3160 .001 1.95 .020 .030 .024 .004 -.005 .001 |
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SiT7 .1934 .0978 .1253 .861 1.34 .014 .019 .018 -.005 .006 -.003 |
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AlT7 .1934 .0978 .1253 .138 1.34 .014 .019 .018 -.005 .006 -.003 |
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FeT7 .1934 .0978 .1253 .001 1.34 .014 .019 .018 -.005 .006 -.003 |
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SiT8 .2122 .1948 .3174 .861 1.11 .011 .014 .017 .001 -.004 .001 |
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AlT8 .2122 .1948 .3174 .138 1.11 .011 .014 .017 .001 -.004 .001 |
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FeT8 .2122 .1948 .3174 .001 1.11 .011 .014 .017 .001 -.004 .001 |
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SiT9 .2143 .3111 .1846 .861 1.32 .018 .012 .020 -.005 .001 .001 |
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AlT9 .2143 .3111 .1846 .138 1.32 .018 .012 .020 -.005 .001 .001 |
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FeT9 .2143 .3111 .1846 .001 1.32 .018 .012 .020 -.005 .001 .001 |
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SiT10 .1873 .4049 .3752 .861 1.18 .015 .015 .015 .002 .004 -.004 |
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AlT10 .1873 .4049 .3752 .138 1.18 .015 .015 .015 .002 .004 -.004 |
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FeT10 .1873 .4049 .3752 .001 1.18 .015 .015 .015 .002 .004 -.004 |
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SiT11 .1151 .0634 .0009 .861 1.53 .025 .019 .014 -.007 .005 -.004 |
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AlT11 .1151 .0634 .0009 .138 1.53 .025 .019 .014 -.007 .005 -.004 |
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FeT11 .1151 .0634 .0009 .001 1.53 .025 .019 .014 -.007 .005 -.004 |
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O1 0 .0208 .2214 3.92 .088 .015 .046 0 0 -.004 |
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O2 .0969 .0897 .1594 .84 .025 .084 .113 .002 .049 .009 |
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O3 0 .1213 .2499 .76 .075 .041 .027 0 0 -.015 |
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O4 .0955 .1833 .3238 .63 .020 .059 .021 -.001 .001 -.012 |
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O5 0 .2249 .2361 3.11 .046 .012 .060 0 0 -.014 |
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O6 .0928 .3040 .1810 2.87 .017 .054 .038 -.008 .007 .010 |
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O7 0 .3225 .2802 2.53 .055 .017 .024 0 0 -.003 |
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O8 .0840 .3950 .3443 6.37 .050 .110 .082 -.001 -.044 -.041 |
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O9 0 .4225 .2462 6.55 .205 .008 .036 0 0 -.016 |
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O10 .0928 .4920 .1818 3.74 .033 .076 .033 .003 .010 -.006 |
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O11 .2280 .1576 .1350 2.66 .027 .038 .036 -.002 -.007 -.006 |
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O12 .2242 .0598 .3504 3.61 .042 .027 .068 -.003 -.009 .005 |
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O13 .2381 .4586 .3559 5.90 .094 .032 .098 -.012 .073 .014 |
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O14 .1754 .0893 .0555 3.00 .026 .079 .009 -.010 -.001 -.014 |
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O15 .2329 .2564 .3357 3.16 .055 .028 .037 -.015 .003 -.004 |
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O16 .25 .1829 .25 2.03 .037 .031 .009 0 .004 0 |
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O17 .2381 .3553 .1332 2.79 .049 .036 .021 -.031 -.016 .012 |
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O18 .25 .3290 .25 1.89 .029 .017 .026 0 .003 0 |
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O19 .25 .0050 .25 5.66 .033 .146 .036 0 .003 0 |
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O20 0 .0807 .0048 2.82 .036 .029 .042 0 0 -.003 |
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O21 .1276 0 0 3.26 .033 .021 .070 0 0 -.005 |
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O22 .1627 .4084 .4406 5.34 .102 .058 .043 .050 .025 .004 |
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NaX1 0 .386 .999 .0186 1.7 |
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KX1 0 .386 .999 .0013 1.7 |
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MgX1 0 .386 .999 .023 1.7 |
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CaX1 0 .386 .999 .0356 1.7 |
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WatX1 0 .386 .999 .6824 1.7 |
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NaX2 0 .183 .430 .0186 4.6 |
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KX2 0 .183 .430 .0013 4.6 |
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MgX2 0 .183 .430 .023 4.6 |
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CaX2 0 .183 .430 .0356 4.6 |
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WatX2 0 .183 .430 .6824 4.6 |
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NaX3 0 .263 .996 .0186 3.9 |
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KX3 0 .263 .996 .0013 3.9 |
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MgX3 0 .263 .996 .023 3.9 |
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CaX3 0 .263 .996 .0356 3.9 |
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WatX3 0 .263 .996 .6824 3.9 |
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NaX4 0 .081 .404 .0186 6.5 |
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KX4 0 .081 .404 .0013 6.5 |
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MgX4 0 .081 .404 .023 6.5 |
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CaX4 0 .081 .404 .0356 6.5 |
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WatX4 0 .081 .404 .6824 6.5 |
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NaX5 .067 .281 .421 .0186 9.1 |
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KX5 .067 .281 .421 .0013 9.1 |
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MgX5 .067 .281 .421 .023 9.1 |
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CaX5 .067 .281 .421 .0356 9.1 |
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WatX5 .067 .281 .421 .6824 9.1 |
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NaX6 .121 .458 .019 .0186 3.9 |
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KX6 .121 .458 .019 .0013 3.9 |
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MgX6 .121 .458 .019 .023 3.9 |
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CaX6 .121 .458 .019 .0356 3.9 |
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WatX6 .121 .458 .019 .6824 3.9 |
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NaX7 0 .192 .071 .0186 11.0 |
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KX7 0 .192 .071 .0013 11.0 |
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MgX7 0 .192 .071 .023 11.0 |
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CaX7 0 .192 .071 .0356 11.0 |
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WatX7 0 .192 .071 .6824 11.0 |
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NaX8 .151 .349 .994 .0186 6.6 |
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KX8 .151 .349 .994 .0013 6.6 |
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MgX8 .151 .349 .994 .023 6.6 |
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CaX8 .151 .349 .994 .0356 6.6 |
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WatX8 .151 .349 .994 .6824 6.6 |
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NaX9 0 .390 .103 .0186 8.9 |
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KX9 0 .390 .103 .0013 8.9 |
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MgX9 0 .390 .103 .023 8.9 |
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CaX9 0 .390 .103 .0356 8.9 |
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WatX9 0 .390 .103 .6824 8.9 |
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NaX10 .120 .268 .558 .0186 9.4 |
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KX10 .120 .268 .558 .0013 9.4 |
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MgX10 .120 .268 .558 .023 9.4 |
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CaX10 .120 .268 .558 .0356 9.4 |
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WatX10 .120 .268 .558 .6824 9.4 |
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NaX11 .193 .271 .473 .0186 12.3 |
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KX11 .193 .271 .473 .0013 12.3 |
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MgX11 .193 .271 .473 .023 12.3 |
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CaX11 .193 .271 .473 .0356 12.3 |
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WatX11 .193 .271 .473 .6824 12.3 |
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NaX12 0 .301 .064 .0186 8.9 |
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KX12 0 .301 .064 .0013 8.9 |
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MgX12 0 .301 .064 .023 8.9 |
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CaX12 0 .301 .064 .0356 8.9 |
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WatX12 0 .301 .064 .6824 8.9 |
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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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