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Phase-B-anhydrous |
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Finger L W, Hazen R M, Prewitt C T |
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American Mineralogist 76 (1991) 1-7 |
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Crystal structures of Mg12Si4O19(OH)2 (phase B) and Mg14Si5O24 (phase AnhB) |
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_database_code_amcsd 0001340 |
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5.868 14.178 10.048 90 90 90 Pmcb |
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atom x y z Biso |
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Si1 0 0 0 0.33 |
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Si2 .5 .31141 .17445 0.35 |
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Si3 0 .37524 .99754 0.34 |
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Mg1 .5 0 .5 0.47 |
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Mg2 .5 .17460 .35469 0.46 |
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Mg3 .5 0 0 0.48 |
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Mg4 .24050 .00241 .25354 0.44 |
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Mg5 0 .17612 .82058 0.48 |
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Mg6 .24396 .16958 .08108 0.46 |
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O1 0 .91394 .34705 0.47 |
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O2 0 .57564 .35375 0.37 |
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O3 0 .24165 .49605 0.45 |
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O4 .5 .08599 .17186 0.44 |
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O5 .5 .42488 .16958 0.42 |
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O6 .5 .76001 .47153 0.44 |
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O7 .2342 .08741 .42136 0.45 |
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O8 .2147 .42653 .42534 0.47 |
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O9 .2824 .76221 .25276 0.48 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Phase-B |
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Finger L W, Hazen R M, Prewitt C T |
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American Mineralogist 76 (1991) 1-7 |
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Crystal structures of Mg12Si4O19(OH)2 (phase B) and Mg14Si5O24 (phase AnhB) |
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_database_code_amcsd 0001341 |
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10.588 14.097 10.073 90 104.10 90 P2_1/c |
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atom x y z Biso |
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Si1 .79007 .00099 .07415 0.24 |
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Si2 .49753 .18964 .67358 0.35 |
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Si3 .21336 .12550 .42675 0.30 |
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Si4 .78120 .12333 .57300 0.31 |
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Mg1 .5 0 .5 0.56 |
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Mg2 .49776 .17451 .35639 0.45 |
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Mg3 .5 0 0 0.50 |
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Mg4 .65272 .00249 .29314 0.47 |
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Mg5 .07515 .00035 .15240 0.42 |
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Mg6 .06509 .00035 .63472 0.43 |
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Mg7 .35160 .00277 .21545 0.45 |
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Mg8 .64927 .16994 .12361 0.46 |
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Mg9 .07005 .17303 .96971 0.48 |
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Mg10 .21857 .17720 .75197 0.44 |
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Mg11 .77446 .17593 .89486 0.44 |
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Mg12 .35096 .16857 .04510 0.47 |
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Mg13 .93431 .17750 .19882 0.47 |
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O1 .4984 .0752 .6696 0.41 |
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O2 .6474 .0869 .4613 0.45 |
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O3 .7832 .2400 .5726 0.48 |
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O4 .7830 .0858 .7289 0.48 |
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O5 .2152 .2425 .4249 0.44 |
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O6 .3472 .0875 .3842 0.44 |
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O7 .2104 .0871 .5816 0.42 |
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O8 .0806 .0881 .3171 0.50 |
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O9 .4989 .2413 .5293 0.43 |
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O10 .6203 .2386 .7795 0.55 |
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O11 .5002 .0851 .1721 0.48 |
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O12 .6667 .0744 .9698 0.38 |
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O13 .7928 .0757 .2192 0.45 |
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O14 .0863 .0714 .8220 0.43 |
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O15 .9182 .0796 .0279 0.40 |
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O16 .3331 .0734 .8838 0.41 |
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O17 .2088 .0729 .0711 0.38 |
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O18 .3748 .2392 .7155 0.52 |
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O19 .9116 .0852 .5285 0.54 |
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O20 .0675 .2477 .6369 0.56 |
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O21 .9218 .2481 .3639 0.55 |
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H1 .025 .193 .600 1.7 |
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H2 .918 .204 .416 1.2 |
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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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Phase-B-anhydrous |
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Hazen R M, Finger L W, Ko J |
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American Mineralogist 77 (1992) 217-220 |
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Crystal chemistry of Fe-bearing anhydrous phase B: Implications for transition |
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zone mineralogy |
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_database_code_amcsd 0001445 |
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5.908 14.241 10.069 90 90 90 Pmcb |
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atom x y z occ Biso |
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Si1 0 0 0 .40 |
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Si2 .5 .3117 .17584 .40 |
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Si3 0 .37466 .99769 .36 |
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Mg1 .5 0 .5 .881 .62 |
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Fe1 .5 0 .5 .119 .62 |
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Mg2 .5 .17325 .35657 .910 .63 |
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Fe2 .5 .17325 .35657 .080 .63 |
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Mg3 .5 0 0 .591 .53 |
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Fe3 .5 0 0 .409 .53 |
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Mg4 .24024 .00208 .25556 .925 .51 |
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Fe4 .24024 .00208 .25556 .075 .51 |
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Mg5 0 .17678 .82023 .912 .52 |
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Fe5 0 .17678 .82023 .088 .52 |
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Mg6 .24384 .16952 .08159 .887 .50 |
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Fe6 .24384 .16952 .08159 .113 .50 |
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O1 0 .9136 .3471 .46 |
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O2 0 .5752 .3541 .50 |
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O3 0 .2419 .4960 .51 |
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O4 .5 .0863 .1738 .54 |
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O5 .5 .4248 .1700 .49 |
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O6 .5 .7605 .4706 .56 |
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O7 .2323 .0881 .4207 .63 |
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O8 .2121 .4267 .4253 .47 |
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O9 .2834 .7622 .2521 .50 |
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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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Phase-B-superhydrous |
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Pacalo R E G, Parise J B |
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American Mineralogist 77 (1992) 681-684 |
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Crystal structure of superhydrous B, a hydrous magnesium silicate synthesized at |
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1400 C and 20 GPa |
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_database_code_amcsd 0001483 |
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5.0894 13.968 8.6956 90 90 90 Pnnm |
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atom x y z Biso |
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Si1 .5 0 0 0.35 |
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Si2 .48601 .37652 0 0.29 |
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Mg1 .16941 .17351 0 0.54 |
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Mg2 .15831 .32346 .32380 0.53 |
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Mg3 .5 .5 .32127 0.40 |
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Mg4 .5 0 .34189 0.43 |
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O1 .33221 .41318 .15612 0.46 |
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O2 .49309 .25923 0 0.43 |
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O3 .79141 .41450 0 0.47 |
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O4 .35640 .07307 .14464 0.41 |
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Oh5 -.01745 .25185 .15920 0.61 |
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O6 .19568 -.07921 0 0.51 |
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H1 -.0769 .3026 .1085 4.3 |
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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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Phase-B-superfluorous |
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Hazen R M, Yang H, Prewitt C T, Gasparik T |
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American Mineralogist 82 (1997) 647-650 |
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Crystal chemistry of superfluorous phase B (Mg10Si3O14F4): Implications for the |
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role of fluorine in the mantle |
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_database_code_amcsd 0001903 |
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5.050 13.969 8.640 90 90 90 Pnnm |
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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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Si1 .5 0 0 .0043 .0008 .0010 .0001 0 0 |
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Si2 .4892 .3758 0 .0058 .0005 .0012 -.0006 0 0 |
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Mg1 .1657 .1711 0 .0059 .0009 .0019 -.0001 0 0 |
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Mg2 .1543 .3241 .3205 .0060 .0007 .0020 -.0001 .0002 .0001 |
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Mg3 .5 .5 .3180 .0053 .0005 .0022 .0008 0 0 |
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Mg4 .5 0 .3454 .0051 .0007 .0020 -.0002 0 0 |
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O1 .3297 .4101 .1580 .0072 .0009 .0009 .0005 .0001 0 |
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O2 .4914 .2561 0 .0068 .0004 .0016 -.0014 0 0 |
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O3 .7887 .4196 0 .0016 .0007 .0027 -.0002 0 0 |
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O4 .3541 .0732 .1453 .0041 .0003 .0019 -.0001 -.0001 .0001 |
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F5 -.0101 .2439 .1633 .0100 .0017 .0034 .0008 -.0001 -.0006 |
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O6 .1917 -.0797 0 .0061 .0004 .0030 0 0 0 |
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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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