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Mizzonite |
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Papike J J, Stephenson N C |
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American Mineralogist 51 (1966) 1014-1027 |
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The crystal structure of mizzonite, a calcium- and carbonate-rich scapolite |
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_database_code_amcsd 0000148 |
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12.169 12.169 7.569 90 90 90 I4/m |
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atom x y z occ Biso |
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Ca .1428 .2170 0 .67 1.13 |
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Na .1428 .2170 0 .19 1.13 |
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K .1428 .2170 0 .11 1.13 |
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Mg .1428 .2170 0 .03 1.13 |
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Si1 .3391 .4084 0 .71 -.08 |
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Al1 .3391 .4084 0 .29 -.08 |
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Si2 .3393 .0866 .2069 .48 .03 |
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Al2 .3393 .0866 .2069 .52 .03 |
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O1 .4581 .3480 0 .58 |
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O2 .3120 .1280 0 .87 |
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O3 .0510 .3489 .2081 .84 |
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O4 .2332 .1354 .3263 .79 |
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C 0 0 0 .83 1.80 |
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O-C1 0 0 0 .83 1.80 |
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O-C2 0 0 0 .83 1.80 |
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O-C3 0 0 0 .83 1.80 |
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S 0 0 0 .15 1.80 |
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O-S1 0 0 0 .15 1.80 |
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O-S2 0 0 0 .15 1.80 |
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O-S3 0 0 0 .15 1.80 |
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O-S4 0 0 0 .15 1.80 |
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Cl 0 0 0 .02 1.80 |
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Lautite |
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Craig D C, Stephenson N C |
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Acta Crystallographica 19 (1965) 543-547 |
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The crystal structure of lautite, CuAsS |
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Locality: Lauta, Saxony, Germany |
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_database_code_amcsd 0009298 |
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11.35 5.456 3.749 90 90 90 Pna2_1 |
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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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Cu .32617 .43823 .22992 .0030 .0359 .0535 0 .0183 -.0017 |
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As .48668 .14766 .21867 .0044 .0307 .0452 0 .0040 .0012 |
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S .16668 .17903 .21283 .0035 .0433 .0219 0 .0150 -.0012 |
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Tantite |
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Stephenson N C, Roth R S |
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Journal of Solid State Chemistry 3 (1971) 145-153 |
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The crystal structure of the high temperature form of Ta2O2 |
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Locality: synthetic |
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_database_code_amcsd 0013292 |
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3.810 3.810 35.764 90 90. 90 I2 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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TaM1 .005 -.00597 .045680 .98 .0189 .0233 .00010 .0053 -.00056 .00028 |
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ScM1 .005 -.00597 .045680 .02 .0189 .0233 .00010 .0053 -.00056 .00028 |
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TaM2 -.0022 .49419 .12514 .98 .0318 .0159 .00011 -.0001 -.00109 .00033 |
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ScM2 -.0022 .49419 .12514 .02 .0318 .0159 .00011 -.0001 -.00109 .00033 |
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TaM3 .4813 .49882 .204530 .98 .0343 .0028 .00012 .0046 -.00165 .00030 |
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ScM3 .4813 .49882 .204530 .02 .0343 .0028 .00012 .0046 -.00165 .00030 |
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O1 .933 .501 .1809 .25 |
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O2 .969 .488 .0712 .77 |
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O3 .429 .492 .1383 .09 |
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O4 .544 -.007 .0526 .39 |
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O5 .458 -.006 .1964 2.17 |
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O6 .146 .487 .2420 1.42 |
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O7 .136 .25 0 .5 1.01 |
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O8 .005 .996 .1122 1.39 |
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Gersdorffite-P213 |
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Bayliss P, Stephenson N C |
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Mineralogical Magazine 36 (1967) 38-42 |
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The crystal structure of gersdorffite |
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Locality: Wolfsberg, Harz, Germany |
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_database_code_amcsd 0014444 |
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5.6885 5.6885 5.6885 90 90 90 P2_13 |
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atom x y z occ Biso |
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Ni -.0065 -.0065 -.0065 1.4 |
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S1 .3825 .3825 .3825 1.0 |
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S2 .6164 .6164 .6164 .18 1.6 |
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As2 .6164 .6164 .6164 .82 1.6 |
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