|
Heulandite-Sr |
| |
Dobelin N, Armbruster T |
 |
American Mineralogist 88 (2003) 527-533 |
|
Stepwise dehydration of Sr-exchanged heulandite: |
|
A single-crystal X-ray study |
|
Note: fully hydrated at room temperature |
|
_database_code_amcsd 0002991 |
|
17.714 18.000 7.430 90 116.627 90 Cm |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sr1 .15021 0 .6789 .759 2.21 .0319 .0258 .0288 0 .0157 0 |
|
Sr2 .8536 0 .3437 .457 3.15 .052 .031 .043 0 .027 0 |
|
Sr3 .4661 0 .8124 .78 1.36 .0151 .0149 .015 0 .0004 0 |
|
Sr4 .477 0 .752 .12 2.5 .031 .032 .03 0 .011 0 |
|
Si1 .8224 .8287 .9126 .75 1.08 .0120 .0172 .0115 -.0012 .0051 .0005 |
|
Al1 .8224 .8287 .9126 .25 1.08 .0120 .0172 .0115 -.0012 .0051 .0005 |
|
Si1' .1795 .16957 .0993 .75 1.09 .0133 .0182 .0093 .0000 .0045 .0012 |
|
Al1' .1795 .16957 .0993 .25 1.09 .0133 .0182 .0093 .0000 .0045 .0012 |
|
Si2 .7144 .91001 .5090 .75 1.23 .0208 .0132 .0135 .0013 .0083 .0001 |
|
Al2 .7144 .91001 .5090 .25 1.23 .0208 .0132 .0135 .0013 .0083 .0001 |
|
Si2' .2887 .09057 .5057 .75 1.07 .0131 .0141 .0120 -.0002 .0043 -.0004 |
|
Al2' .2887 .09057 .5057 .25 1.07 .0131 .0141 .0120 -.0002 .0043 -.0004 |
|
Si3 .7059 .69056 .7190 .75 1.06 .0140 .0160 .0106 .0010 .0057 .0012 |
|
Al3 .7059 .69056 .7190 .25 1.06 .0140 .0160 .0106 .0010 .0057 .0012 |
|
Si3' .2915 .30856 .2858 .75 1.04 .0151 .0133 .0109 .0003 .0056 .0002 |
|
Al3' .2915 .30856 .2858 .25 1.04 .0151 .0133 .0109 .0003 .0056 .0002 |
|
Si4 .9361 .70057 .5921 .75 1.13 .0153 .0161 .0106 -.0021 .0050 .0003 |
|
Al4 .9361 .70057 .5921 .25 1.13 .0153 .0161 .0106 -.0021 .0050 .0003 |
|
Si4' .0648 .30095 .4140 .75 1.07 .0131 .0159 .0105 .0010 .0043 .0006 |
|
Al4' .0648 .30095 .4140 .25 1.07 .0131 .0159 .0105 .0010 .0043 .0006 |
|
Si5 .0023 .78463 .0069 .75 1.15 .0129 .0178 .0111 -.0028 .0037 .0003 |
|
Al5 .0023 .78463 .0069 .25 1.15 .0129 .0178 .0111 -.0028 .0037 .0003 |
|
O1 .7053 0 .471 2.6 .052 .014 .028 0 .013 0 |
|
O1' .3060 0 .549 1.6 .026 .011 .020 0 .005 0 |
|
O2 .7686 .8766 .3928 2.8 .050 .030 .040 .002 .033 -.008 |
|
O2' .2287 .1186 .6135 1.71 .021 .026 .019 -.002 .010 -.003 |
|
O3 .8188 .8455 .1233 2.17 .040 .029 .020 -.010 .020 -.006 |
|
O3' .1787 .1510 .8813 2.03 .027 .038 .016 -.012 .014 -.005 |
|
O4 .7663 .8925 .7543 2.42 .033 .028 .021 .006 .004 .004 |
|
O4' .2422 .1094 .2589 1.52 .020 .023 .016 .001 .008 -.001 |
|
O5 .9981 .6731 .494 2.71 .038 .042 .034 -.014 .027 -.009 |
|
O6 .9199 .8372 .9494 1.91 .023 .025 .025 -.001 .012 -.004 |
|
O6' .0839 .1601 .0795 1.35 .012 .020 .018 .001 .006 .003 |
|
O7 .6240 .7344 .5484 2.5 .037 .031 .024 .014 .010 .011 |
|
O7' .3698 .2632 .4519 3.0 .031 .033 .029 .005 -.004 .007 |
|
O8 .9957 .7358 .8165 2.05 .020 .032 .022 -.011 .007 -.013 |
|
O8' .0116 .2733 .1838 2.31 .029 .032 .020 .008 .005 -.010 |
|
O9 .7885 .7455 .8306 1.78 .023 .022 .024 -.007 .012 -.008 |
|
O9' .2105 .2547 .1711 1.70 .020 .021 .023 -.004 .010 -.001 |
|
O10 .8866 .6270 .6135 1.53 .018 .023 .016 -.003 .007 .002 |
|
O10' .1185 .3743 .4106 2.6 .027 .018 .046 -.006 .009 .002 |
|
Wat1 .2789 0 .030 3.1 |
|
Wat2 .7336 0 .010 4.5 |
|
Wat3 .5081 0 .513 4.9 |
|
Wat4 .5894 .9103 .966 4.3 |
|
Wat5 .0799 0 .910 .84 4.8 |
|
Wat6 .0985 0 .286 .87 5.8 |
|
Wat7 .4229 .0797 .039 .97 3.5 |
|
Wat8 .0218 .0887 .490 .76 4.9 |
|
Wat9 .983 .090 .531 .35 3.9 |
|
Wat10 .909 0 .757 .69 8.0 |
|
Wat11 .921 0 .108 .71 8.2 |
|
Wat12 .537 0 .199 .43 3.95 |
|
Wat13 .239 0 .903 .18 2.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Heulandite-Sr |
| |
Dobelin N, Armbruster T |
|
American Mineralogist 88 (2003) 527-533 |
|
Stepwise dehydration of Sr-exchanged heulandite: |
|
A single-crystal X-ray study |
|
Note: dehydrated at 100 deg C, measured at -170 deg C |
|
_database_code_amcsd 0002992 |
|
17.698 17.970 7.426 90 116.653 90 Cm |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sr1 .1498 0 .6800 .752 2.35 .0365 .0255 .0309 0 .0183 0 |
|
Sr2 .8538 0 .3426 .442 3.20 .051 .032 .046 0 .028 0 |
|
Sr3 .4665 0 .813 .73 1.48 .016 .0157 .017 0 .0003 0 |
|
Sr4 .479 0 .753 .17 2.3 .032 .031 .024 0 .011 0 |
|
Si1 .8223 .8289 .9128 .75 1.10 .0116 .0181 .0116 -.0013 .0049 .0008 |
|
Al1 .8223 .8289 .9128 .25 1.10 .0116 .0181 .0116 -.0013 .0049 .0008 |
|
Si1' .1796 .1692 .0991 .75 1.12 .0147 .0187 .0094 .0004 .0055 .0010 |
|
Al1' .1796 .1692 .0991 .25 1.12 .0147 .0187 .0094 .0004 .0055 .0010 |
|
Si2 .7137 .9099 .5081 .75 1.30 .022 .0139 .0144 .0001 .0084 -.0003 |
|
Al2 .7137 .9099 .5081 .25 1.30 .022 .0139 .0144 .0001 .0084 -.0003 |
|
Si2' .2892 .0904 .5062 .75 1.06 .0137 .0149 .0118 -.0001 .0057 -.0006 |
|
Al2' .2892 .0904 .5062 .25 1.06 .0137 .0149 .0118 -.0001 .0057 -.0006 |
|
Si3 .7064 .69029 .7193 .75 1.06 .0142 .0165 .0110 .0011 .0070 .0006 |
|
Al3 .7064 .69029 .7193 .25 1.06 .0142 .0165 .0110 .0011 .0070 .0006 |
|
Si3' .2911 .30864 .2850 .75 1.08 .0159 .0136 .0110 .0006 .0057 .0012 |
|
Al3' .2911 .30864 .2850 .25 1.08 .0159 .0136 .0110 .0006 .0057 .0012 |
|
Si4 .9360 .7012 .5922 .75 1.12 .0151 .0162 .0108 -.0022 .0053 .0008 |
|
Al4 .9360 .7012 .5922 .25 1.12 .0151 .0162 .0108 -.0022 .0053 .0008 |
|
Si4' .0648 .3005 .4136 .75 1.13 .0139 .0178 .0101 .0013 .0045 -.0001 |
|
Al4' .0648 .3005 .4136 .25 1.13 .0139 .0178 .0101 .0013 .0045 -.0001 |
|
Si5 .0022 .78541 .0066 .75 1.18 .0131 .0188 .0113 -.0038 .0040 .0004 |
|
Al5 .0022 .78541 .0066 .25 1.18 .0131 .0188 .0113 -.0038 .0040 .0004 |
|
O1 .7038 0 .470 2.7 .056 .011 .028 0 .014 0 |
|
O1' .3067 0 .548 1.9 .027 .017 .019 0 .004 0 |
|
O2 .7671 .8766 .391 3.0 .055 .030 .046 .000 .038 -.009 |
|
O2' .2289 .1184 .6135 1.71 .019 .027 .020 -.001 .010 -.004 |
|
O3 .8183 .8460 .1226 2.3 .044 .030 .018 -.013 .018 -.005 |
|
O3' .1788 .1505 .8812 2.01 .024 .041 .019 -.011 .016 -.006 |
|
O4 .7656 .8924 .7537 2.6 .038 .029 .022 .007 .004 .006 |
|
O4' .2426 .1096 .2592 1.52 .017 .028 .013 .002 .007 -.002 |
|
O5 .9982 .6739 .494 2.94 .041 .046 .038 -.017 .029 -.010 |
|
O6 .9194 .8378 .9491 1.99 .021 .028 .025 .000 .009 -.003 |
|
O6' .0837 .1592 .0783 1.37 .012 .021 .022 .000 .009 .003 |
|
O7 .6244 .7341 .5482 2.8 .041 .032 .028 .019 .011 .014 |
|
O7' .3693 .2635 .4517 3.1 .032 .034 .034 .003 -.003 .009 |
|
O8 .9954 .7368 .8154 2.14 .020 .033 .024 -.010 .007 -.012 |
|
O8' .0115 .2727 .1835 2.38 .031 .032 .021 .009 .006 -.010 |
|
O9 .7891 .7452 .8328 1.83 .024 .023 .023 -.005 .011 -.007 |
|
O9' .2099 .2547 .1700 1.69 .020 .021 .023 -.004 .009 .000 |
|
O10 .8873 .6275 .6151 1.58 .018 .026 .015 .000 .007 .002 |
|
O10' .1179 .3741 .4102 2.8 .030 .021 .045 -.008 .009 .006 |
|
Wat1 .2789 0 .027 3.0 |
|
Wat2 .7340 0 .011 4.8 |
|
Wat3 .5081 0 .513 5.3 |
|
Wat4 .5895 .9099 .964 4.4 |
|
Wat5 .0774 0 .911 .81 4.8 |
|
Wat6 .0986 0 .288 .80 5.3 |
|
Wat7 .4228 .0800 .037 .91 3.8 |
|
Wat8 .021 .0887 .491 .67 4.6 |
|
Wat9 .985 .090 .530 .40 5.1 |
|
Wat10 .909 0 .754 .60 8.4 |
|
Wat11 .921 0 .108 .73 9.5 |
|
Wat12 .537 0 .200 .40 3.95 |
|
Wat13 .238 0 .900 .19 2.1 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Heulandite-Sr |
| |
Dobelin N, Armbruster T |
|
American Mineralogist 88 (2003) 527-533 |
|
Stepwise dehydration of Sr-exchanged heulandite: |
|
A single-crystal X-ray study |
|
Note: dehydrated at 150 deg C, measured at -170 deg C |
|
_database_code_amcsd 0002993 |
|
17.643 17.842 7.418 90 116.851 90 Cm |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sr1 .1460 0 .6803 .49 2.8 .054 .023 .044 0 .036 0 |
|
Sr2 .8503 0 .3299 .310 3.1 .060 .030 .045 0 .039 0 |
|
Sr3 .4761 0 .7791 .809 5.53 .04 .000 .08 0 -.037 0 |
|
Sr4 .528 0 .215 .087 5.2 .049 .026 .073 0 -.027 0 |
|
Sr5 .184 0 .737 .26 5.4 .12 .010 .13 0 .11 0 |
|
Sr6 .785 0 .218 .034 1.3 |
|
Sr7 .711 0 -.036 .089 5.1 |
|
Si1 .8209 .8304 .9099 .75 1.27 .011 .020 .016 -.0027 .0055 -.0006 |
|
Al1 .8209 .8304 .9099 .25 1.27 .011 .020 .016 -.0027 .0055 -.0006 |
|
Si1' .1796 .1666 .0934 .75 1.21 .015 .018 .013 .0011 .0071 .0017 |
|
Al1' .1796 .1666 .0934 .25 1.21 .015 .018 .013 .0011 .0071 .0017 |
|
Si2 .7096 .9100 .5009 .75 1.70 .031 .016 .019 -.0025 .012 -.0009 |
|
Al2 .7096 .9100 .5009 .25 1.70 .031 .016 .019 -.0025 .012 -.0009 |
|
Si2' .2927 .0905 .5059 .75 1.31 .021 .013 .017 .0012 .0100 -.0019 |
|
Al2' .2927 .0905 .5059 .25 1.31 .021 .013 .017 .0012 .0100 -.0019 |
|
Si3 .7083 .6893 .7190 .75 1.24 .018 .020 .010 -.0030 .0065 -.0013 |
|
Al3 .7083 .6893 .7190 .25 1.24 .018 .020 .010 -.0030 .0065 -.0013 |
|
Si3' .2868 .3096 .2764 .75 1.28 .018 .014 .015 .0031 .0063 .0024 |
|
Al3' .2868 .3096 .2764 .25 1.28 .018 .014 .015 .0031 .0063 .0024 |
|
Si4 .9351 .7056 .5882 .75 1.34 .018 .017 .013 -.0045 .0044 .0000 |
|
Al4 .9351 .7056 .5882 .25 1.34 .018 .017 .013 -.0045 .0044 .0000 |
|
Si4' .0642 .2974 .4091 .75 1.47 .022 .020 .013 .0016 .0073 -.0001 |
|
Al4' .0642 .2974 .4091 .25 1.47 .022 .020 .013 .0016 .0073 -.0001 |
|
Si5 .0016 .79014 .0023 .75 1.29 .0137 .0194 .0134 -.003 .0038 -.001 |
|
Al5 .0016 .79014 .0023 .25 1.29 .0137 .0194 .0134 -.003 .0038 -.001 |
|
O1 .6981 0 .459 3.2 .070 .010 .041 0 .024 0 |
|
O1' .3126 0 .548 2.3 .044 .016 .014 0 .001 0 |
|
O2 .7605 .8764 .376 4.5 .094 .039 .070 .005 .064 -.015 |
|
O2' .2331 .1163 .615 2.3 .035 .031 .035 -.015 .028 -.014 |
|
O3 .8151 .8490 .120 2.7 .042 .035 .030 -.023 .022 -.011 |
|
O3' .1787 .1470 .8780 2.1 .030 .039 .017 -.008 .015 -.004 |
|
O4 .7615 .8914 .745 2.7 .033 .028 .026 .009 .001 .005 |
|
O4' .2444 .1080 .2580 2.0 .022 .034 .018 .001 .008 -.001 |
|
O5 .9943 .6810 .480 4.2 .060 .072 .048 -.028 .043 -.027 |
|
O6 .9183 .8410 .950 2.3 .014 .032 .040 -.001 .012 -.005 |
|
O6' .0830 .1532 .0714 1.51 .022 .014 .023 .000 .011 .006 |
|
O7 .6277 .7328 .544 3.5 .046 .036 .034 .018 .003 .017 |
|
O7' .3648 .2656 .448 5.0 .041 .054 .052 -.001 -.016 .022 |
|
O8 .9941 .7420 .8117 2.5 .023 .036 .033 -.010 .011 -.024 |
|
O8' .0137 .2687 .181 3.4 .035 .052 .024 .008 -.004 -.015 |
|
O9 .7908 .7453 .8393 2.0 .021 .029 .027 -.010 .012 -.010 |
|
O9' .2069 .2546 .1584 1.8 .023 .020 .024 -.002 .011 .000 |
|
O10 .8901 .6281 .6138 2.2 .026 .038 .019 -.006 .008 .000 |
|
O10' .1132 .3733 .406 3.5 .043 .018 .053 -.008 .007 .009 |
|
Wat1 .2667 0 .988 4.2 |
|
Wat3 .5110 0 .480 6.2 |
|
Wat4 .5825 .9090 .971 .36 1.2 |
|
Wat4' .607 .9074 .920 .43 4.4 |
|
Wat5 .070 0 .902 .80 5.1 |
|
Wat6 .096 0 .274 .49 3.4 |
|
Wat7 .425 .082 .035 .73 10.0 |
|
Wat8 .016 .092 .486 .36 3.9 |
|
Wat9 .981 .092 .508 .43 7.0 |
|
Wat11 .890 0 .219 .41 10.44 |
|
Wat11' .925 0 .098 .61 8.9 |
|
Wat12 .758 0 .081 .36 1.4 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Heulandite-Sr |
| |
Dobelin N, Armbruster T |
|
American Mineralogist 88 (2003) 527-533 |
|
Stepwise dehydration of Sr-exchanged heulandite: |
|
A single-crystal X-ray study |
|
Note: dehydrated at 200 deg C, measured at -170 deg C |
|
_database_code_amcsd 0002994 |
|
17.642 17.775 7.414 90 116.897 90 Cm |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sr1 .1439 0 .679 .256 2.6 |
|
Sr1' .8459 0 .324 .148 2.1 |
|
Sr2 .7917 0 .230 .180 2.4 |
|
Sr2' .2117 0 .831 .16 2.1 |
|
Sr3 .4803 0 .7675 5.47 .601 .048 .023 .074 0 -.028 0 |
|
Sr3' .516 0 .253 .110 3.5 |
|
Sr4 .544 0 .204 .055 3.88 |
|
Sr5 .1851 0 .743 .28 1.2 |
|
Sr6 .7456 0 .047 .189 5.1 |
|
Sr6' .259 0 .910 .12 .1 |
|
Sr8 .912 0 .67 .18 28.6 |
|
Si1 .8202 .8318 .9128 .75 1.45 .014 .021 .018 -.004 .006 -.002 |
|
Al1 .8202 .8318 .9128 .25 1.45 .014 .021 .018 -.004 .006 -.002 |
|
Si1' .1794 .1651 .0970 .75 1.28 .014 .022 .013 -.0004 .007 .002 |
|
Al1' .1794 .1651 .0970 .25 1.28 .014 .022 .013 -.0004 .007 .002 |
|
Si2 .7069 .9095 .5002 .75 1.72 .035 .017 .014 -.002 .012 -.003 |
|
Al2 .7069 .9095 .5002 .25 1.72 .035 .017 .014 -.002 .012 -.003 |
|
Si2' .2945 .0901 .5104 .75 1.66 .023 .017 .025 .001 .012 .001 |
|
Al2' .2945 .0901 .5104 .25 1.66 .023 .017 .025 .001 .012 .001 |
|
Si3 .7102 .6886 .7234 .75 1.44 .020 .020 .016 -.002 .009 .000 |
|
Al3 .7102 .6886 .7234 .25 1.44 .020 .020 .016 -.002 .009 .000 |
|
Si3' .2852 .3102 .2751 .75 1.37 .021 .017 .013 .001 .006 .000 |
|
Al3' .2852 .3102 .2751 .25 1.37 .021 .017 .013 .001 .006 .000 |
|
Si4 .9345 .7082 .5893 .75 1.56 .024 .022 .012 -.006 .006 -.002 |
|
Al4 .9345 .7082 .5893 .25 1.56 .024 .022 .012 -.006 .006 -.002 |
|
Si4' .0639 .2952 .4115 .75 1.69 .022 .023 .018 .002 .008 .002 |
|
Al4' .0639 .2952 .4115 .25 1.69 .022 .023 .018 .002 .008 .002 |
|
Si5 .0011 .79257 .0043 .75 1.42 .0156 .0199 .0158 -.002 .0047 -.003 |
|
Al5 .0011 .79257 .0043 .25 1.42 .0156 .0199 .0158 -.002 .0047 -.003 |
|
O1 .6926 0 .455 3.0 .074 .020 .013 0 .012 0 |
|
O1' .3139 0 .555 3.6 .058 .018 .043 0 .007 0 |
|
O2 .7568 .8780 .372 4.6 .082 .042 .086 -.004 .068 -.027 |
|
O2' .2365 .1159 .623 3.4 .055 .045 .046 -.020 .039 -.022 |
|
O3 .8115 .8520 .118 2.9 .056 .035 .032 -.011 .030 -.010 |
|
O3' .1814 .1460 .884 2.3 .035 .035 .020 -.014 .015 -.004 |
|
O4 .7589 .8921 .745 2.9 .038 .046 .017 .008 .004 .006 |
|
O4' .2431 .1068 .261 2.3 .017 .027 .037 -.002 .005 .003 |
|
O5 .9916 .6849 .481 5.3 .083 .080 .073 -.033 .065 -.039 |
|
O6 .9178 .8440 .956 2.3 .015 .026 .045 -.003 .012 -.008 |
|
O6' .0825 .1513 .071 1.9 .024 .026 .028 .001 .016 .011 |
|
O7 .6310 .7323 .548 4.2 .053 .039 .044 .010 .000 .024 |
|
O7' .3650 .2671 .448 5.5 .052 .053 .059 .001 -.013 .018 |
|
O8 .9926 .7447 .812 2.9 .033 .044 .034 -.015 .015 -.028 |
|
O8' .0159 .2675 .182 3.7 .035 .047 .036 .009 -.005 -.017 |
|
O9 .7923 .7450 .843 2.1 .027 .026 .024 -.008 .010 -.006 |
|
O9' .2077 .2526 .158 1.9 .022 .027 .028 -.006 .017 -.005 |
|
O10 .8913 .6304 .616 2.4 .028 .032 .029 -.007 .012 .000 |
|
O10' .1104 .3739 .410 3.8 .050 .027 .047 -.007 .003 .005 |
|
Wat1 .292 0 .040 .65 4.5 |
|
Wat1' .2483 0 .961 .36 4.3 |
|
Wat3 .507 0 .450 .97 7.9 |
|
Wat4 .576 .9086 .982 .44 4.3 |
|
Wat4' .611 .908 .900 .50 6.1 |
|
Wat5 .073 0 .886 .58 2.8 |
|
Wat7 .469 .069 .025 .61 23.7 |
|
Wat7' .404 .093 .059 .19 2.7 |
|
Wat8 .015 .092 .508 .26 4.2 |
|
Wat9 .974 .092 .54 .06 1.6 |
|
Wat11 .898 0 .17 .5 12.7 |
|
Wat11' .919 0 .086 .6 6.51 |
|
Wat13 .636 0 -.090 .8 24.6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Heulandite-Sr |
| |
Dobelin N, Armbruster T |
|
American Mineralogist 88 (2003) 527-533 |
|
Stepwise dehydration of Sr-exchanged heulandite: |
|
A single-crystal X-ray study |
|
Note: dehydrated at 250 deg C, measured at -170 deg C |
|
_database_code_amcsd 0002995 |
|
17.60 17.59 7.408 90 116.76 90 Cm |
|
atom x y z occ Biso |
|
Sr1 1.183 0 1.732 .31 4.0 |
|
Sr1' .955 0 .61 .03 3.95 |
|
Sr2 .799 0 .238 .12 .1 |
|
Sr2' 1.212 0 1.814 .18 2.8 |
|
Sr3 1.472 0 1.791 .19 3.1 |
|
Sr3' 1.521 0 1.254 .08 3.95 |
|
Sr4 1.487 0 1.718 .31 4.3 |
|
Sr7 .760 0 .058 .22 3.0 |
|
Sr7' 1.249 0 1.939 .29 2.9 |
|
Si1 .8169 .8321 .906 .75 1.9 |
|
Al1 .8169 .8321 .906 .25 1.9 |
|
Si1' 1.1777 1.1630 1.094 .75 2.4 |
|
Al1' 1.1777 1.1630 1.094 .25 2.4 |
|
Si2 .6956 .9100 .484 .75 2.9 |
|
Al2 .6956 .9100 .484 .25 2.9 |
|
Si2' 1.2890 1.0895 1.499 .75 1.9 |
|
Al2' 1.2890 1.0895 1.499 .25 1.9 |
|
Si3 .7112 .6898 .727 .75 1.8 |
|
Al3 .7112 .6898 .727 .25 1.8 |
|
Si3' 1.2859 1.3142 1.277 .75 3.0 |
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Al3' 1.2859 1.3142 1.277 .25 3.0 |
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Si4 .9342 .7038 .589 .75 2.3 |
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Al4 .9342 .7038 .589 .25 2.3 |
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Si4' 1.0639 1.2875 1.413 .75 2.6 |
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Al4' 1.0639 1.2875 1.413 .25 2.6 |
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Si5 .9967 .7943 .996 .75 2.28 |
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Al5 .9967 .7943 .996 .25 2.28 |
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O1 .701 0 .434 5.7 |
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O1' 1.319 0 1.555 2.9 |
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O2 .766 .883 .386 3.8 |
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O2' 1.257 1.115 1.660 5.1 |
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O3 .801 .859 1.106 4.0 |
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O3' 1.178 1.1475 .883 2.0 |
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O4 .750 .903 .738 3.6 |
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O4' 1.235 1.110 1.254 2.8 |
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O5 .984 .687 .467 5.2 |
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O6 .914 .847 .964 3.6 |
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O6' 1.079 1.1518 1.066 2.1 |
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O7 .637 .727 .539 4.5 |
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O7' 1.375 1.264 1.444 5.4 |
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O8 .987 .7464 .798 2.2 |
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O8' 1.022 1.267 1.177 6.0 |
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O9 .7948 .7452 .848 1.6 |
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O9' 1.213 1.249 1.167 3.5 |
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O10 .889 .639 .609 4.6 |
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O10' 1.107 1.377 1.401 4.3 |
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Wat1 1.292 0 2.027 5.2 |
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Wat3 1.508 0 1.49 18.8 |
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Wat4' 1.613 .850 1.98 .35 7.1 |
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Wat5 1.076 0 1.898 .71 3.3 |
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Wat7 1.470 1.094 2.005 .47 4.9 |
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Wat7' 1.391 1.089 2.077 .7 8.4 |
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Wat8 1.019 1.072 1.54 .36 7.0 |
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Wat11' .905 0 2.153 .53 4.2 |
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Wat13 .725 0 .079 4.1 |
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Wat14 1.078 0 1.35 .3 4.5 |
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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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