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Minamiite |
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Ossaka J, Hirabayashi J, Okada K, Kobayashi R, Hayashi T |
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American Mineralogist 67 (1982) 114-119 |
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Crystal structure of minamiite, a new mineral of the alunite group |
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Note: mineral has been redefined as the 2R polytype of natroalunite |
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_database_code_amcsd 0000857 |
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6.981 6.981 33.490 90 90 120 R-3m |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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S1 0 0 .8458 0.0019 0.0019 0.0111 .00095 0 0 |
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S2 0 0 .3473 0.0110 0.0110 0.0043 0.0055 0 0 |
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Al .5001 -.5001 .2496 0.0053 0.0053 0.0093 0.0029 -.0001 0.0001 |
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O1 0 0 .8022 0.0166 0.0166 0.0076 0.0083 0 0 |
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O2 0 0 .3043 0.0091 0.0091 0.0076 .00455 0 0 |
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O3 .2181 -.2181 .0290 0.0119 0.0119 0.0103 0.0098 0.0010 -.0010 |
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O4 .2183 -.2183 .5274 0.0116 0.0116 0.0105 0.0082 0.0005 -.0005 |
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Oh5 .1268 -.1268 .9294 0.0078 0.0078 0.0145 0.0053 -.0023 0.0023 |
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Oh6 .1239 -.1239 .4321 0.0035 0.0035 0.0174 -.0010 -.0017 0.0017 |
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K 0 0 0 .20 2.4 |
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Na1 0 0 0 .44 2.4 |
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Na2 0 0 .5 .28 1.9 |
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Ca 0 0 .5 .54 1.9 |
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H1 .180 -.180 .9483 3.0 |
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H2 .180 -.180 .4477 3.0 |
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Natroalunite |
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Ossaka J, Hirabayashi J, Okada K, Kobayashi R, Hayashi T |
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American Mineralogist 67 (1982) 114-119 |
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Crystal structure of minamiite, a new mineral of the alunite group |
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Note: mineral is the 2R polytype |
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_database_code_amcsd 0000858 |
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6.981 6.981 33.490 90 90 120 R-3m |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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S1 0 0 .8458 0.0019 0.0019 0.0111 .00095 0 0 |
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S2 0 0 .3473 0.0110 0.0110 0.0043 0.0055 0 0 |
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Al .5001 -.5001 .2496 0.0053 0.0053 0.0093 0.0029 -.0001 0.0001 |
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O1 0 0 .8022 0.0166 0.0166 0.0076 0.0083 0 0 |
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O2 0 0 .3043 0.0091 0.0091 0.0076 .00455 0 0 |
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O3 .2181 -.2181 .0290 0.0119 0.0119 0.0103 0.0098 0.0010 -.0010 |
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O4 .2183 -.2183 .5274 0.0116 0.0116 0.0105 0.0082 0.0005 -.0005 |
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Oh5 .1268 -.1268 .9294 0.0078 0.0078 0.0145 0.0053 -.0023 0.0023 |
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Oh6 .1239 -.1239 .4321 0.0035 0.0035 0.0174 -.0010 -.0017 0.0017 |
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K 0 0 0 .20 2.4 |
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Na1 0 0 0 .44 2.4 |
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Na2 0 0 .5 .28 1.9 |
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Ca 0 0 .5 .54 1.9 |
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H1 .180 -.180 .9483 3.0 |
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H2 .180 -.180 .4477 3.0 |
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KNaSO4 |
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Okada K, Ossaka J |
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Acta Crystallographica B36 (1980) 919-921 |
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Structures of potassium sodium sulphate and tripotassium sodium disulphate |
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_database_code_amcsd 0009707 |
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5.6066 5.6066 7.177 90 90 120 P3m1 |
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atom x y z |
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K1 0 0 0 |
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Na1 0 0 .504 |
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Na2 2/3 1/3 .689 |
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K2 1/3 2/3 .309 |
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S1 2/3 1/3 .234 |
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S2 1/3 2/3 .764 |
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O1 2/3 1/3 .026 |
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O2 1/3 2/3 .955 |
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O3 .187 -.187 .710 |
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O4 .803 -.803 .314 |
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Aphthitalite |
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Okada K, Ossaka J |
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Acta Crystallographica B36 (1980) 919-921 |
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Structures of potassium sodium sulphate and tripotassium sodium disulphate |
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_database_code_amcsd 0009708 |
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5.6801 5.6801 7.309 90 90 120 P-3m1 |
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atom x y z |
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K1 0 0 0 |
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Na2 0 0 .5 |
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K3 2/3 1/3 .6831 |
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S 2/3 1/3 .2338 |
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O1 2/3 1/3 .0316 |
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O2 .8073 -.8073 .3018 |
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Cu(HCOO)2*4H2O |
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Okada K, Kay M I, Cromer D T, Almodovar I |
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Journal of Chemical Physics 44 (1966) 1648-1653 |
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Crystal structure by neutron diffraction and the antiferroelectric phase |
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transition in copper formate tetrahydrate |
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_database_code_amcsd 0012979 |
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8.15 8.18 6.35 90 101.083 90 P2_1/a |
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atom x y z occ Biso |
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Cu 0 0 0 1.02 |
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C .237 .269 .024 1.04 |
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OF1 .205 -.092 -.080 1.27 |
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OF2 .116 .213 .088 1.34 |
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Ow1 .430 .401 .641 1.94 |
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Ow2 .089 .357 .482 2.59 |
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HF .207 .692 .071 4.2 |
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H1 .311 .385 .592 .75 3.3 |
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H2 .481 .296 .592 .75 3.6 |
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H3 .473 .462 .518 .5 3.9 |
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H4 .084 .320 .339 3.7 |
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H5 .029 .475 .480 .5 4.7 |
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H6 .195 .431 .585 .25 3.7 |
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H7 .040 .269 .533 .25 0.9 |
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Natroalunite |
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Okada K, Hirabayashi J, Ossaka J |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1982 (1982) 534-540 |
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Crystal structure of natroalunite and crystal chemistry of the alunite group |
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Locality: Sonomi-dake, Makurazaki-city, Kagoshima Prefecture, Japan |
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_database_code_amcsd 0014771 |
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6.990 6.990 16.905 90 90 120 R-3m |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na 0 0 0 .58 1.90 .0270 .0270 .0182 .0135 0 0 |
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K 0 0 0 .42 1.90 .0270 .0270 .0182 .0135 0 0 |
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Al 0 .5 .5 .52 .0039 .0047 .0108 .0020 .0000 0 |
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S 0 0 .30590 .51 .0055 .0055 .0081 .0028 0 0 |
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O1 0 0 .39211 .76 .0106 .0106 .0077 .0053 0 0 |
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O2 .21805 -.21805 -.05729 .75 .0101 .0101 .0109 .0072 -.0004 .0004 |
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Oh .12534 -.12534 .13902 .74 .0054 .0054 .0164 .0021 .0016 -.0016 |
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H .178 -.178 .116 3.1 |
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View JMOL 3-D Structure
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