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Brewsterite-Sr |
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Perrotta A J, Smith J V |
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Acta Crystallographica 17 (1964) 857-862 |
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The crystal structure of brewsterite, (Sr,Ba,Ca)(Al2Si6O16)*5H2O |
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Locality: Strontian, Argyll, Scotland |
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Note: zeolite |
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_database_code_amcsd 0009286 |
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6.772 17.51 7.744 90 94.30 90 P2_1/m |
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atom x y z occ Biso |
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Sr .2507 .25 .1778 .58 1.02 |
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Ba .2507 .25 .1778 .30 1.02 |
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Ca .2507 .25 .1778 .14 1.02 |
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AlA .3187 .0814 .8220 .33 .95 |
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AlB .4053 .0568 .2105 .33 .84 |
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AlC .5566 .1584 .5345 .33 .86 |
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SiA .3187 .0814 .8220 .67 .95 |
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SiB .4053 .0568 .2105 .67 .84 |
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SiC .5566 .1584 .5345 .67 .86 |
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SiD .9106 .0527 .6412 .88 |
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O1 .3461 .1057 .0286 1.5 |
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O2 .4244 .1227 .3600 2.4 |
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O3 .7909 .1214 .5466 1.5 |
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O4 .4519 .1406 .7141 1.6 |
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O5 .0731 .0915 .7604 2.3 |
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O6 .2212 .9970 .2379 2.5 |
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O7 .3835 .9920 .7959 1.7 |
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O8 0 0 .5 2.6 |
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O9 .5765 .25 .4986 2.1 |
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Wat1 .0545 .25 .4703 .98 3.5 |
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Wat2 .9319 .1469 .1537 .98 5.7 |
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Wat3 .5896 .25 .0256 .98 4.6 |
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Wat4 .0544 .25 .8642 .98 2.5 |
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Barioferrite |
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Townes W D, Fang J H, Perrotta A J |
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Zeitschrift fur Kristallographie 125 (1967) 437-449 |
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The crystal structure and refinement of ferrimagnetic barium ferrite, BaFe12O19 |
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_database_code_amcsd 0010651 |
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5.893 5.893 23.194 90 90 120 P6_3/mmc |
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atom x y z occ Biso |
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Ba 1/3 2/3 .25 .31 |
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Fe1 0 0 0 .20 |
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Fe2 0 0 .2567 .5 .36 |
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Fe3 2/3 1/3 .0272 .21 |
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Fe4 2/3 1/3 .1902 .22 |
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Fe5 .1687 .3374 .1083 .23 |
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O1 0 0 .1501 .29 |
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O2 1/3 2/3 .0546 .46 |
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O3 .8159 .6318 .25 .44 |
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O4 .8447 .6894 .0522 .31 |
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O5 .4967 .9934 .1495 .41 |
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Kalsilite |
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Perrotta A J, Smith J V |
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Mineralogical Magazine 35 (1965) 588-595 |
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The crystal structure of kalsilite, KAlSiO4 |
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Sample: Refinement with O2 on triad axis |
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Locality: Mt. Nyiragongo, Congo |
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_database_code_amcsd 0014442 |
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5.161 5.161 8.693 90 90 120 P6_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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K 0 0 .2435 1.18 .0148 .0148 .0034 .0074 0 0 |
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Al 1/3 2/3 .0486 .52 .0063 .0063 -.0005 .0032 0 0 |
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Si 1/3 2/3 .4300 .37 .0044 .0044 .0018 .0022 0 0 |
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O1 .3831 .9864 .4895 .97 .0074 .0084 .0095 .0039 -.0020 -.0016 |
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O2 1/3 2/3 .25 3.58 .0572 .0572 -.0005 .0286 0 0 |
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Kalsilite |
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Perrotta A J, Smith J V |
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Mineralogical Magazine 35 (1965) 588-595 |
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The crystal structure of kalsilite, KAlSiO4 |
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Sample: Refinement with O2 off triad axis |
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Locality: Mt. Nyiragongo, Congo |
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_database_code_amcsd 0014443 |
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5.161 5.161 8.693 90 90 120 P6_3 |
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atom x y z occ Biso |
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K 0 0 .2411 1.18 |
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Al 1/3 2/3 .0461 .51 |
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Si 1/3 2/3 .4281 .35 |
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O1 .3831 .9875 .4858 1.01 |
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O2 .3339 .7155 .25 1/3 .94 |
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Epistilbite |
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Perrotta A J |
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Mineralogical Magazine 36 (1967) 480-490 |
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The crystal structure of epistilbite |
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Locality: Teigarhorn, Iceland |
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_database_code_amcsd 0014448 |
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9.08 17.74 10.25 90 124.54 90 C2/m |
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atom x y z occ Biso |
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Ca .760 0 .251 .648 2.6 |
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Na .760 0 .251 .265 2.6 |
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K .760 0 .251 .025 2.6 |
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AlTA .001 .088 .161 .262 .6 |
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SiTA .001 .088 .161 .738 .6 |
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AlTB .293 .208 .390 .262 .8 |
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SiTB .293 .208 .390 .738 .8 |
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AlTC .707 .197 .097 .262 1.1 |
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SiTC .707 .197 .097 .738 1.1 |
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O1 .021 0 .215 .8 |
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O2 0 .100 0 2.0 |
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O3 .812 .117 .132 1.7 |
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O4 .170 .134 .309 1.5 |
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O5 .5 .180 0 3.1 |
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O6 .5 .179 .5 1.1 |
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O7 .75 .25 0 4.6 |
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O8 .773 .233 .261 4.7 |
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O9 .25 .25 .5 4.6 |
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Wat1 .724 0 .502 .8744 4.9 |
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Wat2 0 .078 .5 .8744 4.9 |
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Wat3 .559 .082 .281 .8744 4.0 |
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Wat4 .5 0 0 .8744 3.3 |
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