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Afwillite |
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Megaw H D |
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Acta Crystallographica 5 (1952) 477-491 |
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The structure of afwillite, Ca3(SiO3OH)2*2H2O |
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Locality: Scawt Hill, Northern Ireland |
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_database_code_amcsd 0009147 |
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16.27 5.632 13.23 90 134.80 90 Cc |
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atom x y z Biso |
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Ca1 .1968 .0348 .2920 1.4 |
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Ca2 .8012 .0485 .2093 1.4 |
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Ca3 .5037 .0362 .0288 1.4 |
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Si1 .1175 .0442 .0007 1.4 |
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Si2 .8692 .9753 .9982 1.4 |
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O1 .9918 .9152 .3410 1.4 |
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OH2 .9992 .9045 .1538 1.4 |
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O3 .7837 .9695 .0207 1.4 |
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OH4 .2158 .0545 .9888 1.4 |
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O5 .3312 .7352 .3905 1.4 |
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O6 .3630 .2820 .4333 1.4 |
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O7 .1473 .2667 .0983 1.4 |
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O8 .1318 .8125 .0778 1.4 |
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Wat9 .5630 .9795 .2583 1.4 |
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Wat10 .4120 .9693 .2647 1.4 |
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Yoderite |
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Fleet S G, Megaw H D |
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Acta Crystallographica 15 (1962) 721-728 |
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The crystal structure of yoderite |
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Locality: Mautia Hill, Tanzania |
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_database_code_amcsd 0009274 |
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8.035 5.805 7.346 90 105.63 90 P2_1/m |
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atom x y z occ Biso |
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MgA1 .2951 .0054 .1779 .25 .21 |
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CaA1 .2951 .0054 .1779 .03 .21 |
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FeA1 .2951 .0054 .1779 .06 .21 |
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AlA1 .2951 .0054 .1779 .66 .21 |
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MgA2 .3894 .25 .6297 .25 .21 |
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CaA2 .3894 .25 .6297 .03 .21 |
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FeA2 .3894 .25 .6297 .06 .21 |
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AlA2 .3894 .25 .6297 .66 .21 |
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MgA3 .0554 .25 .3547 .25 .21 |
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CaA3 .0554 .25 .3547 .03 .21 |
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FeA3 .0554 .25 .3547 .06 .21 |
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AlA3 .0554 .25 .3547 .66 .21 |
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Si1 .0624 .25 .7979 .23 |
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Si2 .3397 .75 .8026 .23 |
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O1 .0571 .9817 .2162 .84 |
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O2 .4545 .9770 .7818 .84 |
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O3 .1455 .25 .6161 .84 |
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O4 .2206 .25 .9907 .84 |
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O5 .2988 .25 .3607 .84 |
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O6 .1686 .75 .6338 .84 |
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O7 .2818 .75 .0037 .84 |
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OH8 .3633 .75 .3631 .84 |
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Lueshite |
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Sakowski-Cowley A C, Lukaszewicz K, Megaw H D |
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Acta Crystallographica B25 (1969) 851-865 |
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The structure of sodium niobate at room temperature, |
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and the problem of reliability in pseudosymmetric structures |
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Locality: synthetic |
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_database_code_amcsd 0018684 |
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5.566 15.520 5.506 90 90 90 Pbma |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na1 .75 0 .243 .0246 .0018 .0064 -.0005 0 0 |
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Na2 .782 .25 .239 .0086 .0007 .0072 0 -.0026 0 |
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Nb1 .2722 .1262 .2566 .0021 .0004 .0023 -.0003 -.0002 -.0002 |
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O1 .25 0 .304 .0011 .0003 .0089 -.0003 0 0 |
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O2 .233 .25 .191 .0009 .0004 .0064 0 .0012 0 |
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O3 .032 .140 .536 .0008 .0008 .0033 .0004 .0007 .0001 |
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O4 .467 .110 .966 .0093 .0007 .0018 .0008 .0011 .0002 |
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Auricupride |
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Megaw H D |
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Crystal Structures 1973 (1973) 89-90 |
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Copper-gold alloy, Cu3Au |
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_database_code_amcsd 0011894 |
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3.74 3.74 3.74 90 90 90 Pm3m |
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atom x y z |
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Au 0 0 0 |
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Cu 0 .5 .5 |
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| Download AMC data (View Text File)
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