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Phenakite |
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Downs J W, Gibbs G V |
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American Mineralogist 72 (1987) 769-777 |
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An exploratory examination of the electron density and electrostatic potential |
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of phenakite |
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12.472 12.472 8.251 90 90 120 R-3 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si .19562 .98402 .74990 .0035 .0030 .00300 .00141 .00005 .00014 |
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Be1 .1943 .9841 .4156 .0052 .0055 .0048 .0026 -.0005 .0003 |
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Be2 .1941 .9822 .0846 .0045 .0056 .0053 .0023 -.0001 -.0000 |
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O1 .20975 .12125 .7503 .0075 .0042 .0036 .0037 .0000 -.0003 |
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O2 .33382 .00040 .74991 .0027 .0044 .0059 .0017 -.0002 -.0003 |
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O3 .12223 .91217 .91497 .0043 .0047 .0035 .0014 .0003 .0001 |
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O4 .12228 .91342 .58495 .0040 .0047 .0035 .0010 -.0002 -.0003 |
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Phenakite |
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Hazen R M, Au A Y |
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Physics and Chemistry of Minerals 13 (1986) 69-78 |
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High-pressure crystal chemistry of phenakite (Be2SiO4) |
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and bertrandite (Be4Si2O7(OH)2) |
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Sample: P = 1 bar |
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12.4704 12.4704 8.2504 90 90 120 R-3 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Be1 .1941 .2104 .4155 .36 .00095 .00083 .00097 .00045 -.00011 .00007 |
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Be2 .1941 .2118 .0841 .40 .00089 .00107 .00117 .00055 .00001 -.00003 |
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Si .19550 .21155 .74996 .14 .00032 .00040 .00039 .00021 .00004 .00005 |
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O1 .2095 .0884 .7503 .29 .00099 .00054 .00086 .00049 -.00007 .00004 |
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O2 .3336 .3332 .7501 .26 .00048 .00054 .00109 .00025 -.00005 -.00008 |
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O3 .1225 .2100 .9146 .26 .00061 .00089 .00059 .00049 .00006 .00004 |
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O4 .1225 .2090 .5850 .28 .00054 .00099 .00057 .00045 .00001 .00006 |
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Phenakite |
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Hazen R M, Au A Y |
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Physics and Chemistry of Minerals 13 (1986) 69-78 |
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High-pressure crystal chemistry of phenakite (Be2SiO4) |
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and bertrandite (Be4Si2O7(OH)2) |
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Sample: P = 16 kbar |
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12.437 12.437 8.228 90 90 120 R-3 |
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atom x y z Biso |
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Be1 .1921 .2093 .4154 .81 |
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Be2 .1947 .2123 .0820 .94 |
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Si .1947 .2116 .7502 .59 |
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O1 .2098 .0885 .7499 .71 |
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O2 .3332 .3332 .7493 .86 |
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O3 .1227 .2098 .9148 .73 |
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O4 .1212 .2090 .5849 .77 |
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| Download AMC data (View Text File)
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Phenakite |
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Hazen R M, Au A Y |
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Physics and Chemistry of Minerals 13 (1986) 69-78 |
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High-pressure crystal chemistry of phenakite (Be2SiO4) |
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and bertrandite (Be4Si2O7(OH)2) |
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Sample: P = 36 kbar |
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12.397 12.397 8.207 90 90 120 R-3 |
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atom x y z Biso |
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Be1 .1944 .2113 .4170 .93 |
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Be2 .1929 .2129 .0840 1.25 |
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Si .1950 .2118 .7497 .52 |
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O1 .2096 .0885 .7509 .67 |
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O2 .3339 .3341 .7501 .68 |
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O3 .1227 .2101 .9150 .71 |
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O4 .1218 .2086 .5851 .85 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Phenakite |
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Hazen R M, Au A Y |
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Physics and Chemistry of Minerals 13 (1986) 69-78 |
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High-pressure crystal chemistry of phenakite (Be2SiO4) |
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and bertrandite (Be4Si2O7(OH)2) |
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Sample: P = 49.5 kbar |
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12.370 12.370 8.188 90 90 120 R-3 |
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atom x y z Biso |
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Be1 .1924 .2096 .4156 .87 |
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Be2 .1932 .2121 .0842 .94 |
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Si .1950 .2118 .7496 .49 |
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O1 .2095 .0888 .7508 .70 |
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O2 .3334 .3336 .7500 .79 |
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O3 .1219 .2098 .9151 .69 |
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O4 .1224 .2094 .5840 .68 |
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| Download AMC data (View Text File)
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Phenakite |
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Hazen R M, Finger L W |
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Physics and Chemistry of Minerals 14 (1987) 426-434 |
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High-temperature crystal chemistry of phenakite (Be2SiO4) and |
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Chrysoberyl (BeAl2O4) |
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Sample: T = 25 C |
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12.4376 12.4376 8.2312 90 90 120 R-3 |
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atom x y z Biso |
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Be1 .19403 .21011 .41557 .43 |
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Be2 .19456 .21201 .08466 .52 |
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Si .19553 .21167 .74982 .23 |
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O1 .20943 .08840 .75061 .42 |
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O2 .33352 .33293 .74989 .36 |
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O3 .12217 .20972 .91520 .37 |
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O4 .12242 .20928 .58542 .40 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Phenakite |
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Hazen R M, Finger L W |
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Physics and Chemistry of Minerals 14 (1987) 426-434 |
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High-temperature crystal chemistry of phenakite (Be2SiO4) and |
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Chrysoberyl (BeAl2O4) |
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Sample: T = 270 C |
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12.449 12.449 8.240 90 90 120 R-3 |
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atom x y z Biso |
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Be1 .19384 .20985 .41545 .64 |
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Be2 .19430 .21157 .08379 .67 |
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Si .19557 .21152 .74995 .37 |
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O1 .20965 .08856 .75032 .59 |
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O2 .33348 .33323 .75008 .53 |
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O3 .12234 .20978 .91468 .60 |
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O4 .12233 .20884 .58555 .57 |
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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
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Phenakite |
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Hazen R M, Finger L W |
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Physics and Chemistry of Minerals 14 (1987) 426-434 |
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High-temperature crystal chemistry of phenakite (Be2SiO4) and |
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Chrysoberyl (BeAl2O4) |
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Sample: T = 490 C |
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12.4647 12.4647 8.2515 90 90 120 R-3 |
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atom x y z Biso |
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Be1 .19445 .21063 .41563 .88 |
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Be2 .19380 .21103 .08446 .86 |
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Si .19546 .21158 .74992 .52 |
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O1 .20996 .08869 .75036 .80 |
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O2 .33341 .33297 .74979 .72 |
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O3 .12248 .20986 .91459 .78 |
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O4 .12233 .20871 .58547 .78 |
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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
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Phenakite |
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Hazen R M, Finger L W |
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Physics and Chemistry of Minerals 14 (1987) 426-434 |
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High-temperature crystal chemistry of phenakite (Be2SiO4) and |
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Chrysoberyl (BeAl2O4) |
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Sample: T = 690 C |
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12.482 12.482 8.266 90 90 120 R-3 |
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atom x y z Biso |
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Be1 .19381 .21010 .41550 1.05 |
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Be2 .19426 .21133 .08448 1.12 |
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Si .19554 .21162 .74998 .63 |
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O1 .20982 .08888 .75048 .97 |
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O2 .33312 .33288 .75013 .93 |
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O3 .12248 .20976 .91413 .98 |
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O4 .12219 .20875 .58607 1.00 |
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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
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