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Krotite |
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Ma C, Kampf A R, Connolly H C, Beckett J R, Rossman G R, Sweeney Smith S A, |
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Schrader D L |
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American Mineralogist 96 (2011) 709-715 |
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Krotite, CaAl2O4, a new refractory mineral from the NWA 1934 meteorite |
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Locality: NWA 1934 CV3 carbonaceous chondrite |
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_database_code_amcsd 0020662 |
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8.6996 8.0994 15.2170 90 90.188 90 P2_1/n |
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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 .23931 .03429 .08926 .01258 .0130 .0129 .0119 .0014 .0022 .0009 |
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Ca2 .26876 .47015 .07086 .01383 .0127 .0146 .0141 .0017 -.0003 .0006 |
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Ca3 .73966 .52887 .24701 .01803 .0166 .0176 .0198 -.0003 -.0007 .0004 |
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Al1 .42372 .32738 .23832 .0113 .0110 .0122 .0108 -.0001 .0010 -.0005 |
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Al2 .41960 .72376 .23313 .0112 .0102 .0129 .0105 .0000 .0011 .0008 |
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Al3 .59857 .82885 .07786 .0112 .0102 .0127 .0107 .0007 .0005 -.0002 |
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Al4 .61194 .21941 .08071 .0112 .0107 .0126 .0105 -.0005 .0007 -.0001 |
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Al5 .93519 .72697 .09133 .0111 .0104 .0127 .0101 -.0005 .0005 .0003 |
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Al6 .93934 .33446 .09220 .0112 .0103 .0124 .0110 .0008 .0008 .0002 |
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O1 .0764 .2398 .02364 .0146 .0147 .0144 .0147 .0004 .0007 .0011 |
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O2 .0158 .5323 .11035 .0153 .0147 .0146 .0166 .0008 -.0026 -.0007 |
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O3 .0541 .8643 .14910 .0151 .0184 .0143 .0127 -.0034 .0003 .0007 |
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O4 .2478 .2451 .20288 .0148 .0130 .0184 .0131 -.0012 .0015 -.0034 |
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O5 .4360 .2590 .02679 .0147 .0131 .0172 .0139 .0019 .0003 -.0007 |
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O6 .4315 .8532 .14078 .0147 .0129 .0159 .0154 .0033 .0038 .0031 |
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O7 .4344 .5242 .18865 .0162 .0205 .0155 .0126 -.0010 .0004 .0008 |
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O8 .5843 .2263 .19545 .0152 .0131 .0192 .0132 .0037 .0003 .0006 |
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O9 .6782 .0226 .05493 .0165 .0153 .0163 .0179 .0002 .0043 .0003 |
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O10 .7555 .3562 .04659 .0155 .0147 .0155 .0164 -.0004 -.0009 .0023 |
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O11 .7469 .7258 .13366 .0165 .0142 .0209 .0145 .0016 .0012 .0041 |
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O12 .9209 .2454 .19657 .0158 .0126 .0210 .0138 -.0026 .0012 .0013 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Krotite |
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Kahlenberg V |
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European Journal of Mineralogy 13 (2001) 403-410 |
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On the Al/Fe substitution in iron doped monocalcium |
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aluminate - the crystal structure of CaAl1.8Fe0.2O4 |
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Locality: synthetic |
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_database_code_amcsd 0006865 |
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8.758 8.112 15.311 90 90.21 90 P2_1/n |
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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 .2401 .0352 .0891 .0113 .0120 .0093 .0128 .0006 .0042 .0015 |
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Ca2 .2681 .4697 .0716 .0137 .0122 .0134 .0155 .0019 -.0011 .0012 |
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Ca3 .7396 .5282 .2470 .0187 .0168 .0183 .0212 .0003 .0003 -.0010 |
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AlT1 .4236 .3270 .2384 .926 .0078 .0079 .0088 .0067 -.0013 .0002 -.0005 |
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FeT1 .4236 .3270 .2384 .074 .0078 .0079 .0088 .0067 -.0013 .0002 -.0005 |
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AlT2 .4197 .7261 .2332 .904 .0084 .0068 .0111 .0075 .0006 .0016 .0006 |
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FeT2 .4197 .7261 .2332 .096 .0084 .0068 .0111 .0075 .0006 .0016 .0006 |
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AlT3 .5983 .8290 .0781 .898 .0076 .0077 .0080 .0073 .0015 .0013 .0001 |
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FeT3 .5983 .8290 .0781 .102 .0076 .0077 .0080 .0073 .0015 .0013 .0001 |
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AlT4 .6120 .2222 .0809 .911 .0090 .0070 .0126 .0077 -.0008 .0014 -.0010 |
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FeT4 .6120 .2222 .0809 .089 .0090 .0070 .0126 .0077 -.0008 .0014 -.0010 |
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AlT5 .9358 .7294 .0915 .887 .0075 .0057 .0107 .0061 .0007 .0009 .0002 |
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FeT5 .9358 .7294 .0915 .113 .0075 .0057 .0107 .0061 .0007 .0009 .0002 |
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AlT6 .9388 .3344 .0922 .924 .0083 .0077 .0086 .0088 .0010 .0015 .0006 |
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FeT6 .9388 .3344 .0922 .076 .0083 .0077 .0086 .0088 .0010 .0015 .0006 |
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O1 .0775 .2396 .0240 .0121 .0125 .0131 .0109 .0020 .0042 .0017 |
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O2 .0177 .5312 .1114 .0169 .0186 .0141 .0181 -.0006 -.0022 .0004 |
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O3 .0550 .8667 .1487 .0161 .0176 .0173 .0136 -.0049 .0008 -.0001 |
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O4 .2476 .2447 .2025 .0141 .0102 .0165 .0156 .0011 .0013 -.0001 |
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O5 .4339 .2588 .0274 .0139 .0126 .0149 .0143 .0028 .0011 -.0023 |
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O6 .4305 .8555 .1406 .0155 .0160 .0165 .0154 .0034 .0033 .0041 |
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O7 .4341 .5249 .1878 .0182 .0239 .0159 .0148 -.0008 .0014 -.0002 |
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O8 .5847 .2270 .1958 .0168 .0134 .0256 .0112 .0058 .0030 .0013 |
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O9 .6795 .0234 .0542 .0168 .0150 .0140 .0214 .0008 .0068 -.0014 |
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O10 .7552 .3598 .0465 .0169 .0188 .0126 .0194 -.0013 .0019 .0030 |
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O11 .7462 .7276 .1349 .0158 .0131 .0209 .0136 .0022 .0015 .0030 |
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O12 .9193 .2465 .1972 .0154 .0116 .0238 .0108 -.0004 -.0010 .0036 |
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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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Krotite |
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Horkner W, Muller-Buschbaum H |
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Journal of Inorganic and Nuclear Chemistry 38 (1976) 983-984 |
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Zur kristallstruktur von CaAl2O4 |
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Note: beryllonite structure |
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Locality: synthetic |
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_database_code_amcsd 0017810 |
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8.700 8.092 15.191 90 90.17 90 P2_1/n |
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atom x y z Biso |
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Ca1 .2388 .0343 .0893 .50 |
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Ca2 .2686 .4702 .0709 .62 |
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Ca3 .7396 .5286 .2470 .94 |
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Al1 .4241 .3268 .2385 .48 |
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Al2 .4192 .7244 .2329 .44 |
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Al3 .5987 .8289 .0781 .39 |
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Al4 .6126 .2193 .0806 .52 |
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Al5 .9352 .7276 .0917 .43 |
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Al6 .9400 .3341 .0921 .55 |
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O1 .077 .240 .023 .39 |
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O2 .016 .532 .111 .56 |
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O3 .054 .863 .149 .51 |
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O4 .246 .246 .204 .29 |
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O5 .436 .260 .027 .49 |
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O6 .430 .853 .141 .52 |
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O7 .433 .524 .189 .67 |
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O8 .583 .227 .195 .48 |
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O9 .679 .024 .055 .39 |
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O10 .756 .355 .047 .33 |
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O11 .748 .727 .134 .59 |
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O12 .922 .245 .197 .30 |
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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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