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Walstromite |
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Barkley M C, Downs R T, Yang H |
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American Mineralogist 96 (2011) 797-801 |
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Structure of walstromite, BaCa2Si3O9, and its relationship |
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to CaSiO3-walstromite and wollastonite-II |
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Locality: Esquire No. 8 claim, Big Creek, Fresno County, California, U.S.A. |
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_database_code_amcsd 0018336 |
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6.7335 9.6142 6.6859 69.638 102.281 96.855 P-1 |
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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 .27564 .50942 .76296 .01177 .01328 .01067 .01086 .00050 .00405 -.00192 |
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Ca2 .43704 .82810 .94439 .00973 .00867 .01155 .01055 .00086 .00318 -.00471 |
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Ba1 .04730 .84865 .32147 .01220 .01371 .01095 .01248 .00202 .00236 -.00413 |
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Si1 .09661 .22212 .15253 .00860 .00818 .00875 .00930 -.00041 .00331 -.00279 |
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Si2 .23397 .48134 .28615 .00874 .00844 .00939 .00968 .00095 .00362 -.00348 |
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Si3 .44128 .19622 .51332 .00879 .00847 .00997 .00787 .00055 .00220 -.00244 |
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O1 .23339 .26112 -.02934 .01177 .01090 .01264 .01235 .00008 .00539 -.00314 |
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O2 -.10090 .12277 .10406 .01177 .00991 .01151 .01378 -.00041 .00242 -.00425 |
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O3 .04567 .37136 .20048 .01173 .01061 .01152 .01307 .00140 .00323 -.00321 |
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O4 .37296 .55630 .10710 .01154 .01125 .01280 .01060 -.00164 .00496 -.00293 |
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O5 .13494 .58601 .36970 .01465 .01829 .01186 .01588 .00246 .00637 -.00473 |
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O6 .35978 .35593 .50597 .01215 .01505 .01043 .01124 .00130 .00300 -.00336 |
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O7 .61408 .23412 .36858 .01143 .01126 .01332 .01122 -.00103 .00538 -.00454 |
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O8 .50803 .09161 .75696 .01287 .01634 .01203 .00967 .00181 .00256 -.00245 |
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O9 .23046 .12449 .39321 .01069 .01070 .01011 .01072 .00036 .00238 -.00258 |
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Cristobalite |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
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Physics and Chemistry of Minerals 38 (2011) Online-first |
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New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 0.2 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018342 |
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4.9501 4.9501 6.9259 90 90 90 P4_12_12 |
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atom x y z Uiso |
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Si .3027 .3027 0 .0101 |
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O .2388 .1086 .1817 .015 |
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Cristobalite |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
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Physics and Chemistry of Minerals 38 (2011) Online-first |
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New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 0.6 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018343 |
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4.908 4.908 6.784 90 90 90 P4_12_12 |
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atom x y z Uiso |
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Si .3083 .3083 0 .018 |
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O .2387 .1161 .1865 .011 |
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Cristobalite |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
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Physics and Chemistry of Minerals 38 (2011) Online-first |
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New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 3.6 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018344 |
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4.746 4.746 6.445 90 90 90 P4_12_12 |
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atom x y z Uiso |
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Si .3237 .3237 0 .012 |
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O .2338 .1546 .1992 .010 |
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Cristobalite |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
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Physics and Chemistry of Minerals 38 (2011) Online-first |
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New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 5.4 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018345 |
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4.682 4.682 6.311 90 90 90 P4_12_12 |
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atom x y z Uiso |
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Si .3316 .3316 0 .009 |
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O .2297 .1648 .2119 .005 |
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Cristobalite |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
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Physics and Chemistry of Minerals 38 (2011) Online-first |
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New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 7.3 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018346 |
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4.632 4.632 6.209 90 90 90 P4_12_12 |
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atom x y z Uiso |
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Si .3353 .3353 0 .007 |
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O .2276 .1768 .2228 .008 |
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Cristobalite |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
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Physics and Chemistry of Minerals 38 (2011) Online-first |
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New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 9.1 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018347 |
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4.599 4.599 6.130 90 90 90 P4_12_12 |
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atom x y z Uiso |
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Si .3396 .3396 0 .014 |
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O .2238 .1800 .2164 .011 |
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Cristobalite II |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
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Physics and Chemistry of Minerals 38 (2011) Online-first |
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New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 3.5 GPa, data transformed from Dove et al (2000) |
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_database_code_amcsd 0018348 |
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8.011 4.544 8.890 90 121.0 90 P2_1/c |
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atom x y z Uiso |
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Si1 .6274 .2661 .8461 .018 |
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Si2 .8660 .0221 .7189 .018 |
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O1 .8152 .1255 .8517 .028 |
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O2 .6944 .4046 .0275 .028 |
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O3 .4637 .0262 .7952 .028 |
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O4 .0696 .1948 .7604 .028 |
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Cristobalite II |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
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Physics and Chemistry of Minerals 38 (2011) Online-first |
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New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 4.9 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018349 |
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8.011 4.544 8.890 90 121.0 90 P2_1/c |
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atom x y z Uiso |
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Si1 .6265 .2742 .8472 .011 |
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Si2 .8757 .0079 .7218 .014 |
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O1 .8110 .1122 .8606 .015 |
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O2 .6980 .4261 .0033 .019 |
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O3 .4636 .0326 .8042 .011 |
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O4 .0665 .1704 .7533 .016 |
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Cristobalite II |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
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Physics and Chemistry of Minerals 38 (2011) Online-first |
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New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 7.4 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018350 |
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7.894 4.456 8.582 90 119.7 90 P2_1/c |
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atom x y z Uiso |
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Si1 .6274 .2767 .8492 .008 |
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Si2 .8757 .9875 .7260 .011 |
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O1 .8107 .1082 .8680 .008 |
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O2 .6889 .4490 .0333 .017 |
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O3 .4534 .0338 .8043 .016 |
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O4 .0689 .1382 .7504 .014 |
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Cristobalite II |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
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Physics and Chemistry of Minerals 38 (2011) Online-first |
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New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 10.1 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018351 |
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7.803 4.382 8.366 90 118.7 90 P2_1/c |
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atom x y z Uiso |
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Si1 .6258 .2822 .8522 .010 |
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Si2 .8769 .9612 .7287 .008 |
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O1 .8230 .1155 .8780 .020 |
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O2 .6839 .4673 .0384 .010 |
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O3 .4551 .0478 .8067 .018 |
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O4 .0670 .1033 .7402 .027 |
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Kozulite |
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Barkley M C, Yang H, Downs R T |
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Acta Crystallographica E66 (2010) i83-i83 |
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Kozulite, a Mn-rich alkali amphibole |
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Locality: Tanohata mine, Iwate Prefecture, Tohoku Region, Honshu Island, Japan |
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_database_code_amcsd 0017887 |
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9.9024 18.1117 5.2992 90 104.034 90 C2/m |
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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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KAM .52110 0 .05337 .104 .01495 |
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NaAM' .55616 0 .12976 .187 .01495 |
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NaA2 .5 -.02152 0 .073 .01495 |
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NaA1 .53855 -.01917 .10320 .056 .01495 |
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NaM4 0 .27152 .5 .800 .02191 .02256 .02513 .02240 0 .01394 0 |
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CaM4 0 .27152 .5 .09 .02191 .02256 .02513 .02240 0 .01394 0 |
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MnM4 0 .27152 .5 .11 .02191 .02256 .02513 .02240 0 .01394 0 |
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MnM1 0 .08447 .5 .453 .00933 .00812 .01278 .00693 0 .00151 0 |
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MgM1 0 .08447 .5 .547 .00933 .00812 .01278 .00693 0 .00151 0 |
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MnM2 0 .18224 .0 .766 .00935 .00981 .00801 .01081 0 .00360 0 |
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MgM2 0 .18224 .0 .234 .00935 .00981 .00801 .01081 0 .00360 0 |
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MnM3 0 0 .0 .257 .00682 .00777 .00593 .00635 0 .00091 0 |
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MgM3 0 0 .0 .743 .00682 .00777 .00593 .00635 0 .00091 0 |
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Si1 .28233 .08429 .28706 .00858 .00867 .00776 .00854 -.00068 .00063 .00007 |
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Si2 .28734 .16909 .79054 .00908 .00895 .00906 .00918 -.00125 .00213 .00087 |
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O1 .11555 .08452 .21268 .01077 .00883 .01119 .01146 -.00133 .00085 -.00045 |
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O2 .11918 .16575 .71697 .01460 .00928 .02024 .01375 .00151 .00180 .00306 |
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OH3 .10330 0 .71178 .01309 .01394 .01143 .01332 0 .00215 0 |
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O4 .35819 .24732 .79012 .01786 .02362 .01152 .01861 -.00563 .00544 .00122 |
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O5 .34710 .12714 .07418 .01335 .01120 .01709 .01140 .00000 .00209 .00495 |
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O6 .34473 .11704 .57692 .01358 .01147 .01838 .00989 .00045 .00065 -.00395 |
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O7 .34279 0 .28842 .01545 .01488 .00757 .02267 0 .00217 0 |
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Despujolsite |
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Barkley M C, Yang H, Evans S H, Downs R T, Origlieri M J |
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Acta Crystallographica E67 (2011) i47-i48 |
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Redetermination of despujolsite, Ca3Mn4+(SO4)2(OH)6*3H2O |
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Locality: N'Chwaning III mine, Kalahari Manganese Field, South Africa |
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_database_code_amcsd 0018458 |
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8.5405 8.5405 10.8094 90 90 120 P-62c |
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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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Ca .1521 .30348 .25 .01085 .0137 .00918 .00980 .0058 0 0 |
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Mn 0 0 0 .00846 .00919 .00919 .0070 .00460 0 0 |
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S 1/3 2/3 .02544 .00936 .01001 .01001 .0081 .00501 0 0 |
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O1 1/3 2/3 -.11153 .0167 .0213 .0213 .0075 .0107 0 0 |
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O2 .2419 .47842 .06891 .0188 .027 .0106 .0170 .008 .004 .0033 |
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Oh3 .8945 .0966 .11070 .0109 .0084 .0148 .0107 .0067 -.0006 -.0004 |
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OW4 .5006 .4853 .25 .0171 .019 .023 .0136 .0138 0 0 |
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H1 .836 .125 .076 .026 |
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H2 .521 .445 .193 .046 |
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Weeksite |
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Fejfarova K, Plasil J, Yang H, Cejka J, Dusek M, Downs R T, Barkley M C, Skoda R |
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American Mineralogist 97 (2012) 750-754 |
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Revision of the crystal structure and chemical formula of weeksite, |
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K2(UO2)2(Si5O13)*4H2O |
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Locality: Anderson mine, Arizona, USA |
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_database_code_amcsd 0018760 |
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14.1957 14.2291 9.6305 90 111.578 90 C2/m |
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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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U1 .099331 .246786 .89678 .01189 .00807 .01867 .00959 .00057 .00403 .00072 |
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K1 -.0707 0 .8602 .951 .0369 .0280 .0310 .057 0 .0224 0 |
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K2 .2460 0 .8433 .930 .054 .058 .040 .089 0 .055 0 |
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Si1 0 .3068 .5 .0166 .0133 .0244 .0121 0 .0046 0 |
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Si2 .18748 .24984 .2495 .0116 .0094 .0180 .0080 .0011 .0038 -.0010 |
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Si3 .29855 .10998 .5004 .0184 .0220 .0156 .0192 -.0011 .0095 .0000 |
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O1 .4105 .1224 .4996 .033 .020 .030 .052 -.005 .018 -.002 |
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O2 .0712 .2440 .1370 .023 .006 .055 .007 .000 .001 -.001 |
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O3 .2472 .2551 .1367 .024 .009 .055 .009 .000 .005 -.001 |
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O4 .0366 .2437 .6473 .023 .024 .037 .008 .003 .006 .006 |
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O5 .2162 .1560 .3546 .027 .028 .026 .021 -.001 .002 .011 |
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O6 .2705 0 .4998 .022 .029 .012 .029 0 .013 0 |
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O7 .2892 .1573 .6467 .026 .036 .018 .027 -.003 .016 -.007 |
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O8 .1020 .1201 .9055 .029 .035 .019 .040 -.001 .021 .001 |
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O9 .0990 .3727 .8972 .032 .036 .020 .042 -.003 .016 -.003 |
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Wat10 .4310 0 .8411 .053 .033 .040 .073 0 .005 0 |
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Wat11 -.2624 0 .8441 .98 .059 .059 .052 .073 0 .034 0 |
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Wat12 0 0 .5 .72 .036 |
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Wat13 0 -.079 .5 .259 .036 |
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Wat14 -.0464 -.0614 .602 .281 .036 |
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Wat15 -.0917 -.0636 .398 .264 .036 |
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Wat16 -.445 0 .702 .24 .024 |
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