|
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
|
| |
|
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
|
| |
|
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
|
| |
|
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
|
| |
|
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 |
|
Al3' 1.2859 1.3142 1.277 .25 3.0 |
|
Si4 .9342 .7038 .589 .75 2.3 |
|
Al4 .9342 .7038 .589 .25 2.3 |
|
Si4' 1.0639 1.2875 1.413 .75 2.6 |
|
Al4' 1.0639 1.2875 1.413 .25 2.6 |
|
Si5 .9967 .7943 .996 .75 2.28 |
|
Al5 .9967 .7943 .996 .25 2.28 |
|
O1 .701 0 .434 5.7 |
|
O1' 1.319 0 1.555 2.9 |
|
O2 .766 .883 .386 3.8 |
|
O2' 1.257 1.115 1.660 5.1 |
|
O3 .801 .859 1.106 4.0 |
|
O3' 1.178 1.1475 .883 2.0 |
|
O4 .750 .903 .738 3.6 |
|
O4' 1.235 1.110 1.254 2.8 |
|
O5 .984 .687 .467 5.2 |
|
O6 .914 .847 .964 3.6 |
|
O6' 1.079 1.1518 1.066 2.1 |
|
O7 .637 .727 .539 4.5 |
|
O7' 1.375 1.264 1.444 5.4 |
|
O8 .987 .7464 .798 2.2 |
|
O8' 1.022 1.267 1.177 6.0 |
|
O9 .7948 .7452 .848 1.6 |
|
O9' 1.213 1.249 1.167 3.5 |
|
O10 .889 .639 .609 4.6 |
|
O10' 1.107 1.377 1.401 4.3 |
|
Wat1 1.292 0 2.027 5.2 |
|
Wat3 1.508 0 1.49 18.8 |
|
Wat4' 1.613 .850 1.98 .35 7.1 |
|
Wat5 1.076 0 1.898 .71 3.3 |
|
Wat7 1.470 1.094 2.005 .47 4.9 |
|
Wat7' 1.391 1.089 2.077 .7 8.4 |
|
Wat8 1.019 1.072 1.54 .36 7.0 |
|
Wat11' .905 0 2.153 .53 4.2 |
|
Wat13 .725 0 .079 4.1 |
|
Wat14 1.078 0 1.35 .3 4.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Painite |
 |
Armbruster T, Dobelin N, Peretti A, Gunther D, Reusser E, Grobety B |
|
American Mineralogist 89 (2004) 610-613 |
|
The crystal structure of painite CaZrB[Al9O18] revisited |
|
Locality: Mogok |
|
_database_code_amcsd 0003470 |
|
8.724 8.724 8.464 90 90 120 P6_3/m |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 0 0 .77 1.148 .0059 .0059 .0318 .00295 0 0 |
|
Na 0 0 0 .19 1.148 .0059 .0059 .0318 .00295 0 0 |
|
Zr 2/3 1/3 .25 .94 .277 .00342 .00342 .00368 .00171 0 0 |
|
Hf 2/3 1/3 .25 .01 .277 .00342 .00342 .00368 .00171 0 0 |
|
V 2/3 1/3 .25 .01 .277 .00342 .00342 .00368 .00171 0 0 |
|
Cr 2/3 1/3 .25 .03 .277 .00342 .00342 .00368 .00171 0 0 |
|
B 1/3 -1/3 .25 .41 .0048 .0048 .0061 .0024 0 0 |
|
Al1 .34290 .36082 .07794 .98 .314 .00351 .00449 .00386 .00194 .00000 .00045 |
|
Ti1 .34290 .36082 .07794 .02 .314 .00351 .00449 .00386 .00194 .00000 .00045 |
|
Al2 .33656 .00426 .25 .98 .344 .00400 .00418 .0042 .00151 0 0 |
|
Ti2 .33656 .00426 .25 .02 .344 .00400 .00418 .0042 .00151 0 0 |
|
O1 .88145 .40477 .09293 .381 .0049 .0046 .0050 .0023 .0005 .0002 |
|
O2 .19303 -.10735 .08217 .405 .0047 .0047 .0050 .0016 -.0002 .0000 |
|
O3 -.11034 -.32921 .25 .474 .0055 .0090 .0048 .0046 0 0 |
|
O4 .44764 -.15362 .25 .452 .0050 .0039 .0077 .0019 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Yuksporite |
|
Krivovichev S V, Yakovenchuk V N, Armbruster T, Dobelin N, Pattison P, Weber H-P, Depmeier W |
|
American Mineralogist 89 (2004) 1561-1565 |
|
Porous titanosilicate nanorods in the structure of yuksporite, |
|
(Sr,Ba)2K4(Ca,Na)14(_,Mn,Fe){(Ti,Nb)4(O,OH)4[Si6O17]2[Si2O7]3}(H2O,OH)n, |
|
resolved using synchrotron radiation |
|
Sample: Kola peninsula, Russia |
|
_database_code_amcsd 0003651 |
|
7.126 24.913 17.075 90 101.89 90 P2_1/m |
|
atom x y z occ Uiso |
|
Ti1 .1754 .59949 .0992 .80 .008 |
|
Nb1 .1754 .59949 .0992 .20 .008 |
|
Ti2 -.6751 .59968 .4004 .75 .020 |
|
Nb2 -.6751 .59968 .4004 .25 .020 |
|
Si1 -.1835 .6319 -.0579 .014 |
|
Si2 -.8749 .6333 .5566 .020 |
|
Si3 -.0272 .5414 .2471 .020 |
|
Si4 -.6302 .6324 -.0584 .016 |
|
Si5 .0419 .6874 -.1648 .022 |
|
Si6 -.5417 .6891 .6629 .016 |
|
Si7 .5259 .5442 .2476 .007 |
|
Si8 -.3152 .6335 .5563 .015 |
|
Si9 -.6591 .6881 .2500 .016 |
|
Sr1 -.3119 .6337 .1271 .35 .012 |
|
Ba1 -.3119 .6337 .1271 .15 .012 |
|
Sr2 -.1863 .6332 .3752 .35 .008 |
|
Ba2 -.1863 .6332 .3752 .15 .008 |
|
K1 -.0560 .75 -.3617 .90 .021 |
|
K2 -.4425 .75 -.1352 .95 .038 |
|
Ba2 -.4425 .75 -.1352 .05 .038 |
|
K3 .1902 .75 .0472 .60 .036 |
|
K4 -.6430 .75 .4511 .90 .070 |
|
K5 .0889 .75 .0476 .40 .031 |
|
Na1A -.1885 .6082 .3830 .50 .005 |
|
Na2A -.3189 .6097 .1054 .50 .030 |
|
Na3A -.9222 .4848 .4125 .75 .013 |
|
Ca3A -.9222 .4848 .4125 .25 .013 |
|
Ca1B .2479 .5873 -.2500 .0146 |
|
Ca2B .0767 .5177 -.0915 .70 .010 |
|
Na2B .0767 .5177 -.0915 .30 .010 |
|
Ca3B -.2491 .5851 -.2499 .015 |
|
Ca4B -.4213 .5163 -.0831 .50 .020 |
|
Na4B -.4213 .5163 -.0831 .50 .020 |
|
Ca5B -.4237 .4826 .4110 .80 .030 |
|
Na5B -.4237 .4826 .4110 .20 .030 |
|
MnM -.2532 .75 .2424 .15 .054 |
|
FeM -.2532 .75 .2424 .10 .054 |
|
O1 .4922 .5223 -.2541 .032 |
|
O2 -.6784 .4232 .3872 .012 |
|
O3 .0050 .6483 -.2381 .034 |
|
O4 -.5099 .6449 .7320 .010 |
|
O5 -.0116 .4794 .2479 .026 |
|
O6 -.6730 .5801 -.1130 .032 |
|
O7 -.6206 .5344 .4595 .010 |
|
O8 .1427 .5373 .0446 .010 |
|
OH9 -.6310 .4644 -.0463 .010 |
|
OH10 -.1454 .5359 .4488 .010 |
|
O11 -.1951 .5804 -.1031 .010 |
|
O12 -.8177 .5794 .6045 .010 |
|
O13 -.7554 .75 .2536 .038 |
|
O14 -.5332 .75 .6948 .034 |
|
O15 -.6560 .6297 .0333 .018 |
|
O16 -.4460 .6325 .4665 .016 |
|
O17 -.1207 .6880 -.1051 .023 |
|
O18 -.5105 .5697 .3312 .016 |
|
O19 -.0716 .6329 .0291 .046 |
|
O20 -.3925 .6514 -.0434 .042 |
|
O21 -.8293 .6331 .4682 .011 |
|
O22 -.1003 .6491 .5519 .010 |
|
O23 -.7397 .6862 -.1083 .039 |
|
O24 .0144 .5659 .1678 .024 |
|
O25 -.3915 .6801 .6046 .010 |
|
O26 .4059 .5637 .1673 .022 |
|
O27 -.2740 .5594 .2416 .005 |
|
O28 .0890 .5693 .3301 .025 |
|
O29 .0303 .75 -.2011 .002 |
|
O30 -.7571 .6820 .6058 .004 |
|
O31 -.1671 .75 .4211 .010 |
|
O32 .2116 .6637 .1684 .027 |
|
O33 -.7124 .6635 .3297 .024 |
|
O34 -.4310 .6918 .2469 .119 |
|
Wat35 -.0783 .6870 .2321 .59 .100 |
|
Wat36 -.349 .75 .0981 .56 .100 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Schreyerite |
|
Dobelin N, Reznitsky L Z, Sklyarov E V, Armbruster T, Medenbach O |
|
American Mineralogist 91 (2006) 196-202 |
|
Schreyerite, V2Ti3O9: New occurrence and crystal structure |
|
Locality: Sludyanka complex at the southern shore of Lake Baikal, Russia |
|
_database_code_amcsd 0004005 |
|
17.102 5.0253 7.0579 90 106.636 90 C2/c |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
V3 -.07555 -.5010 .10036 .893 .612 .0101 .0068 .0053 -.0011 .0005 .0003 |
|
Cr3 -.07555 -.5010 .10036 .079 .612 .0101 .0068 .0053 -.0011 .0005 .0003 |
|
Fe3 -.07555 -.5010 .10036 .018 .612 .0101 .0068 .0053 -.0011 .0005 .0003 |
|
Ti1 0 0 0 .845 .233 .0035 .0021 .0032 .0003 .0009 .0000 |
|
V1 0 0 0 .156 .233 .0035 .0021 .0032 .0003 .0009 .0000 |
|
Ti2 -.21608 .0067 -.07227 .845 .560 .0072 .0058 .0074 .0007 .0007 -.0011 |
|
V2 -.21608 .0067 -.07227 .156 .560 .0072 .0058 .0074 .0007 .0007 -.0011 |
|
O1 -.1085 .1585 -.0203 .47 .0040 .0049 .0089 -.0005 .0017 -.0008 |
|
O2 -.1742 -.3316 .0731 .50 .0055 .0051 .0091 .0005 .0034 .0004 |
|
O3 -.0474 -.3463 -.1300 .40 .0061 .0041 .0051 -.0004 .0016 -.0006 |
|
O4 -.2262 -.1679 -.3190 .52 .0081 .0063 .0058 -.0016 .0025 -.0005 |
|
O5 0 .1965 -.25 .37 .007 .003 .0039 0 .0018 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Tyrolite |
|
Krivovichev S V, Chernyshov D Y, Dobelin N, Armbruster T, |
|
Kahlenberg V, Kaindl R, Tessadri R, Kaltenhauser G |
| |
American Mineralogist 91 (2006) 1378-1384 |
|
Crystal chemistry and polytypism of tyrolite |
|
Sample: Brixlegg, Schwaz, Tyrol, Austria |
|
Note: Tyrolite-1M polytype |
|
_database_code_amcsd 0004223 |
|
27.562 5.5682 10.4662 90 98.074 90 P2/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .65147 -.2505 .9456 .0153 .0248 .0090 .0129 -.0026 .0052 -.0003 |
|
Cu1 .76399 -.1650 .84020 .0121 .0222 .0096 .0051 .0015 .0041 -.0007 |
|
Cu2 .85745 -.1824 .02406 .0135 .0216 .0124 .0074 .0014 .0049 -.0039 |
|
Cu3 .94819 -.5359 .9187 .0132 .0258 .0069 .0073 .0035 .0041 .0002 |
|
Cu4 .76470 -.4692 .0984 .0123 .0231 .0049 .0102 .0013 .0065 .0025 |
|
Cu5 .0000 .0000 .0000 .0183 .0387 .0088 .0081 .0070 .0055 .0002 |
|
As1 .86524 -.2818 .71749 .0098 .0205 .0037 .0062 .0000 .0052 -.0003 |
|
As2 .69328 -.6964 .79980 .0119 .0238 .0042 .0085 -.0007 .0053 .0000 |
|
O1 .8339 -.294 .8477 .012 .019 .007 .012 .000 .006 -.007 |
|
O2 .8329 -.573 .0938 .016 .016 .012 .021 .002 .006 .002 |
|
O3 .9197 -.585 .2544 .015 .030 .012 .004 -.007 .007 .000 |
|
Wat4 .5928 -.423 .0623 .029 .037 .032 .021 -.010 .014 -.003 |
|
Wat5 .6363 .104 .0679 .034 .045 .016 .043 .002 .012 .007 |
|
O6 .8764 -.011 .1880 .014 .024 .003 .015 .004 .003 -.003 |
|
O7 .5876 -.095 .7893 .5 .050 .047 .078 .026 .026 .003 .014 |
|
Wat7 .5876 -.095 .7893 .5 .050 .047 .078 .026 .026 .003 .014 |
|
O8 .7032 -.326 .1443 .014 .019 .014 .011 -.001 .013 -.006 |
|
O9 .6352 -.617 .8116 .019 .030 .019 .011 -.002 .013 .000 |
|
OH10 .9807 -.697 .0700 .015 .028 .012 .006 .000 .007 .004 |
|
OH11 .9251 -.270 .0219 .016 .017 .015 .017 .002 .004 -.006 |
|
O12 .7270 -.498 .8955 .020 .040 .009 .009 -.010 .002 -.002 |
|
O13 .7023 .016 .8505 .017 .025 .007 .022 .000 .015 .002 |
|
OH14 .7496 -.210 .6559 .010 .024 .005 .002 -.002 .006 .001 |
|
Wat15 .9704 -.844 .8322 .018 .033 .009 .014 -.001 .007 .007 |
|
OH16 .7863 -.155 .0259 .012 .017 .003 .018 -.002 .004 .002 |
|
Wat17 .8715 .207 .915 .037 .040 .037 .036 .000 .010 .012 |
|
Wat18 .8060 .215 .820 .50 .014 |
|
O19 .5057 -.075 .702 .50 .062 |
|
Wat20 .4945 -.333 .018 .50 .056 |
|
O21 .5303 .068 .885 .50 .070 |
|
C1 .5417 -.050 .791 .38 .022 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Tyrolite |
|
Krivovichev S V, Chernyshov D Y, Dobelin N, Armbruster T, |
|
Kahlenberg V, Kaindl R, Tessadri R, Kaltenhauser G |
| |
American Mineralogist 91 (2006) 1378-1384 |
|
Crystal chemistry and polytypism of tyrolite |
|
Sample: Brixlegg, Schwaz, Tyrol, Austria |
|
Note: Tyrolite-2M polytype |
|
_database_code_amcsd 0004224 |
|
54.520 5.5638 10.4647 90 96.432 90 C2/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .17535 .7487 .1761 .0230 .035 .015 .019 .002 .004 .005 |
|
Cu1 .11904 .1677 .4955 .0158 .017 .016 .016 .0016 .006 .0028 |
|
Cu2 .07184 .8169 .1187 .0150 .019 .018 .009 -.0016 .0044 -.0042 |
|
Cu3 .02610 .5363 .4525 .0141 .024 .004 .014 .0046 .001 -.0005 |
|
Cu4 .11848 .5279 .2534 .0193 .017 .013 .027 .0005 .000 .002 |
|
Cu5 0 0 0 .0206 .032 .011 .019 -.010 .005 -.003 |
|
As1 .06791 .2812 .3060 .0123 .0157 .0067 .014 -.0006 .0008 -.0003 |
|
As2 .15438 .3027 .0029 .0181 .0194 .0092 .026 .0014 .0064 -.0006 |
|
O1 .0830 .294 .455 .012 |
|
O2 .0841 .431 .201 .017 |
|
O3 .0405 .418 .300 .009 |
|
Wat4 .2055 .581 .338 .043 |
|
Wat5 .1829 .108 .286 .043 |
|
O6 .0624 .003 .270 .018 |
|
O7 .2087 .894 .053 .5 .061 |
|
Wat7 .2087 .894 .053 .5 .061 |
|
O8 .1496 .320 .838 .014 |
|
O9 .1836 .378 .062 .028 |
|
OH10 .0092 .301 .074 .028 |
|
OH11 .0378 .274 .577 .022 |
|
O12 .1372 .500 .074 .024 |
|
O13 .1500 .011 .049 .020 |
|
OH14 .1264 .212 .323 .012 |
|
Wat15 .0148 .146 .848 .019 |
|
OH16 .1078 .844 .167 .016 |
|
Wat17 .0652 .202 .001 .10 |
|
Wat18 .0978 .797 .454 .076 |
|
Wat19 .248 .56 .10 .50 .15 |
|
Wat20 .248 .17 .150 .50 .08 |
|
Wat21 .256 .79 .06 .21 .080 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Heulandite-Ba |
| |
Larsen A O, Nordrum F S, Dobelin N, Armbruster T, Petersen O V, Erambert M |
| |
European Journal of Mineralogy 17 (2005) 143-153 |
|
Heulandite-Ba, a new zeolite species from Norway |
|
Locality: Northern Ravnas silver prospect, southern Vinoren, Flesberg community, |
|
Buskerud county, Norway (Kongsberg ore district) |
|
_database_code_amcsd 0007089 |
|
17.738 17.856 7.419 90 116.55 90 C2/m |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .35504 .5 .3237 .359 2.48 .0362 .0228 .0351 0 .0156 0 |
|
Ba2 .2528 .5 .0768 .190 2.67 .041 .0143 .057 0 .031 0 |
|
Ca .4584 0 .8014 .392 2.20 .018 .031 .028 0 .0047 0 |
|
K .219 .5 .987 .41 5.9 .065 .061 .108 0 .047 0 |
|
Na .463 0 .725 .05 1.9 |
|
Si1 .17934 .16850 .09567 .75 1.070 .0112 .0171 .0122 -.0007 .0051 .0007 |
|
Al1 .17934 .16850 .09567 .25 1.070 .0112 .0171 .0122 -.0007 .0051 .0007 |
|
Si2 .28857 .08986 .50023 .75 1.088 .0152 .0120 .0143 .0001 .0069 .0001 |
|
Al2 .28857 .08986 .50023 .25 1.088 .0152 .0120 .0143 .0001 .0069 .0001 |
|
Si3 .29214 .30922 .28287 .75 1.092 .0146 .0152 .0124 .0006 .0066 .0006 |
|
Al3 .29214 .30922 .28287 .25 1.092 .0146 .0152 .0124 .0006 .0066 .0006 |
|
Si4 .43568 .20123 .58874 .75 1.079 .0120 .0163 .0121 -.0006 .0049 .0003 |
|
Al4 .43568 .20123 .58874 .25 1.079 .0120 .0163 .0121 -.0006 .0049 .0003 |
|
Si5 0 .21324 0 .75 1.13 .0117 .0179 .0124 0 .0045 0 |
|
Al5 0 .21324 0 .25 1.13 .0117 .0179 .0124 0 .0045 0 |
|
O1 .3047 0 .5494 2.46 .041 .015 .027 0 .006 0 |
|
O2 .2684 .3798 .3889 2.39 .032 .034 .033 -.0030 .0212 -.0094 |
|
O3 .3171 .3492 .1177 2.06 .035 .030 .0204 -.0051 .0182 -.0017 |
|
O4 .2385 .1047 .2545 2.11 .0275 .029 .0191 .0087 .0068 .0044 |
|
O5 .5 .1733 .5 2.45 .035 .034 .038 0 .028 0 |
|
O6 .0821 .1586 .0636 1.83 .0153 .0250 .0290 .0004 .0099 .0022 |
|
O7 .3745 .2660 .4498 3.09 .036 .037 .035 .016 .0078 .017 |
|
O8 .0086 .2677 .1850 2.50 .0268 .037 .0251 .0000 .0065 -.0144 |
|
O9 .2115 .2531 .1753 2.13 .0227 .0248 .035 -.0091 .0147 -.0090 |
|
O10 .3839 .1275 .5997 2.25 .0237 .027 .033 -.0082 .0114 .0004 |
|
Wat1 .5774 .0816 .9728 .75 3.91 .049 .050 .048 .000 .020 -.003 |
|
Wat2 .405 .5 .155 .36 15 |
|
Wat3 .5 0 .5 0 7.5 .098 .046 .151 0 .063 0 |
|
Wat4 .425 .5 .091 .641 8.4 .09 .072 .15 0 .044 0 |
|
Wat5 .4824 .4051 .507 .5 7.6 .060 .058 .134 -.007 .01 .002 |
|
Wat6 .4074 .5 .719 .72 9.2 .078 .15 .124 0 .046 0 |
|
Wat7 .605 .091 .922 .25 6.0 |
|
Wat8 .385 .5 .481 .15 4.74 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Tweddillite |
| |
Armbruster T, Gnos E, Dixon R, Gutzmer J, Hejny C, Dobelin N, Medenbach O |
|
Mineralogical Magazine 66 (2002) 137-150 |
|
Manganvesuvianite and tweddillite, two new Mn3+-silicate minerals |
|
from the Kalahari manganese fields, South Africa |
|
Locality: Kalahari manganese fields, South Africa |
|
_database_code_amcsd 0014561 |
|
8.934 5.718 10.325 90 114.54 90 P2_1/m |
|
atom x y z occ Biso |
|
CaA1 .7646 .75 .1575 .92 |
|
SrA2 .5941 .75 .42163 1.03 |
|
AlM1 0 0 0 .43 .64 |
|
Mn3+M1 0 0 0 .48 .64 |
|
Fe3+M1 0 0 0 .09 .64 |
|
AlM2 0 0 .5 .66 |
|
Mn3+M3 .2954 .25 .2181 5/6 .90 |
|
Fe3+M3 .2954 .25 .2181 1/6 .90 |
|
Si1 .3417 .75 .0411 .95 |
|
Si2 .6877 .25 .2787 .85 |
|
Si3 .1803 .75 .3150 .86 |
|
O1 .2389 .9915 .0386 1.42 |
|
O2 .2984 .9786 .3480 1.14 |
|
O3 .7967 .0160 .3433 1.17 |
|
O4 .0600 .25 .1312 .9 |
|
O5 .0369 .75 .1479 1.0 |
|
O6 .0661 .75 .4061 1.0 |
|
O7 .5174 .75 .1691 1.4 |
|
O8 .5277 .25 .3110 1.0 |
|
O9 .6323 .25 .1063 1.8 |
|
O10 .0815 .25 .4293 .9 |
|
H10 .06 .25 .339 3.95 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Manganvesuvianite |
| |
Armbruster T, Gnos E, Dixon R, Gutzmer J, Hejny C, Dobelin N, Medenbach O |
|
Mineralogical Magazine 66 (2002) 137-150 |
|
Manganvesuvianite and tweddillite, two new Mn3+-silicate minerals |
|
from the Kalahari manganese fields, South Africa |
|
Locality: Kalahari manganese fields, South Africa |
|
_database_code_amcsd 0014562 |
|
15.575 15.575 11.824 90 90 90 *P4/n |
|
.25 -.25 0 |
|
atom x y z occ Biso |
|
CaX1 -.25 .25 .2504 .81 |
|
CaX2A .18951 -.04395 .62112 .84 |
|
CaX2B -.04570 .18816 -.12041 .81 |
|
CaX3A .09891 .17897 .11669 1.35 |
|
CaX3B -.39895 -.18214 -.39052 1.27 |
|
MnY2A 0 0 0 .10 .69 |
|
AlY2A 0 0 0 .90 .69 |
|
MnY2B -.5 0 .5 .05 .69 |
|
AlY2B -.5 0 .5 .95 .69 |
|
MnY3A -.11226 .11962 .12497 .19 .73 |
|
AlY3A -.11226 .11962 .12497 .81 .73 |
|
MnY3B -.38839 .12156 .37384 .16 .74 |
|
AlY3B -.38839 .12156 .37384 .84 .74 |
|
CaX4B .25 .25 -.1469 .324 1.1 |
|
MnY1B .25 .25 .5428 .324 .92 |
|
CaX4A .25 .25 .6475 .676 .95 |
|
MnY1A .25 .25 -.0454 .676 .81 |
|
SiZ1A -.25 .25 0 .734 |
|
SiZ1B -.25 .25 .5 .734 |
|
SiZ2A -.04035 .31890 .1292 .734 |
|
SiZ2B -.04115 .18017 .3719 .734 |
|
SiZ3A .08686 .34911 -.1352 .734 |
|
SiZ3B .08199 .15100 .6357 .734 |
|
O1A -.2212 .1725 .0858 .86 |
|
O1B -.2808 .1724 .4148 .84 |
|
O2A -.1174 .3385 .2212 .98 |
|
O2B -.1177 .1588 .2803 .90 |
|
O3A -.0470 .2219 .0751 .94 |
|
O3B -.0478 .2767 .4253 .80 |
|
O4A -.0614 .3934 .0321 1.01 |
|
O4B -.0620 .1059 .4711 .88 |
|
O5A -.0104 .3272 -.1771 1.16 |
|
O5B -.0150 .1701 .6797 1.08 |
|
O6A .1256 .2728 -.0572 1.37 |
|
O6B .1181 .2285 .5598 1.34 |
|
O7A .0561 .3262 .1805 1.24 |
|
O7B .0554 .1722 .3232 1.06 |
|
O8A .0928 .4386 -.0660 .84 |
|
O8B .0909 .0610 .5678 .95 |
|
O9 .1479 .3562 -.2496 1.09 |
|
O10A .25 .25 .1344 1.34 |
|
O10B -.25 -.25 -.3648 1.27 |
|
OH11A -.0048 .0600 .1367 .95 |
|
OH11B -.4960 .0626 .3645 1.02 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
