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Katayamalite |
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Andrade M B, Doell D, Downs R T, Yang H |
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Acta Crystallographica E69 (2013) i41-i41 |
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Redetermination of katayamalite, KLi3Ca7Ti2(SiO3)12(OH)2 |
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Locality: Iwagi Island, Inland Sea, Ehime Prefecture, Japan |
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_database_code_amcsd 0019864 |
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16.9093 9.7287 20.9019 90 112.396 90 C2/c |
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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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K 0 .07120 .25 .89 .0361 .0352 .0342 .0410 0 .0170 0 |
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Na 0 .07120 .25 .12 .0361 .0352 .0342 .0410 0 .0170 0 |
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Li1 .5 .0835 .25 .0167 .006 .027 .016 0 .004 0 |
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Li2 .2458 .3180 .2486 .0185 .016 .015 .023 .0026 .006 -.002 |
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Ca1 .22009 -.07260 .51311 .01101 .0084 .0101 .0156 .0000 .0057 -.0002 |
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Ca2 .14530 .28347 .50710 .01108 .0081 .0104 .0155 .00035 .0053 .0002 |
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Ca3 .07248 .63859 .50005 .01062 .0079 .0107 .0142 -.00007 .0054 .0002 |
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Ca4 0 0 .5 .01050 .0072 .0101 .0142 0 .0042 -.0008 |
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Ti .33450 .07041 .25164 .90 .00591 .00370 .00629 .0081 .00022 .00263 .00032 |
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Zr .33450 .07041 .25164 .07 .00591 .00370 .00629 .0081 .00022 .00263 .00032 |
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Fe .33450 .07041 .25164 .02 .00591 .00370 .00629 .0081 .00022 .00263 .00032 |
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Sn .33450 .07041 .25164 .01 .00591 .00370 .00629 .0081 .00022 .00263 .00032 |
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Si1 .61419 .26505 .36044 .00846 .0058 .0092 .0110 -.0005 .0040 -.0009 |
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Si2 .43082 .32346 .35974 .00856 .0056 .0091 .0107 .0001 .0029 -.0008 |
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Si3 .36872 .63501 .35927 .00838 .0052 .0086 .0108 -.0002 .0026 .0000 |
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Si4 .49109 .88012 .36047 .00828 .0049 .0096 .0101 -.0001 .0027 .0009 |
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Si5 .67395 .81556 .35909 .00837 .0065 .0085 .0112 .0005 .0046 .0006 |
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Si6 .73864 .50791 .36208 .00839 .0068 .0084 .0112 -.0003 .0047 -.0002 |
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O1 .65854 .40272 .34511 .0148 .0124 .0130 .0202 -.0047 .0076 .0007 |
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O2 .65931 .22314 .44096 .0123 .0107 .0143 .0123 .0003 .0052 -.0006 |
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O3 .61303 .14415 .30807 .0122 .0096 .0130 .0155 -.0004 .0065 -.0036 |
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O4 .51486 .31007 .34026 .0139 .0069 .0185 .0176 .0024 .0060 .0004 |
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O5 .35276 .23886 .30523 .0118 .0076 .0130 .0129 -.0005 .0022 -.0018 |
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O6 .45262 .28303 .43917 .0143 .0125 .0163 .0144 -.0010 .0052 -.0003 |
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O7 .40985 .48821 .35090 .0163 .0134 .0088 .0274 .0025 .0085 -.0007 |
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O8 .27342 .65293 .30411 .0133 .0063 .0139 .0174 -.0013 .0021 .0010 |
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O9 .37854 .65030 .43848 .0139 .0119 .0163 .0132 -.0013 .0045 .0000 |
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O10 .42704 .74837 .34065 .0139 .0099 .0154 .0177 -.0037 .0067 .0017 |
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O11 .52072 .92080 .44086 .0124 .0112 .0134 .0130 -.0006 .0050 -.0009 |
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O12 .44828 .00452 .30824 .0117 .0068 .0133 .0149 .0006 .0042 .0023 |
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O13 .57262 .82069 .34535 .0151 .0068 .0172 .0233 .0018 .0081 .0004 |
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O14 .72871 .85392 .43847 .0136 .0128 .0143 .0133 .0000 .0045 -.0004 |
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O15 .69498 .90701 .30395 .0120 .0128 .0109 .0144 .0019 .0074 .0030 |
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O16 .69232 .65696 .34465 .0153 .0183 .0103 .0207 .0038 .0110 .0005 |
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O17 .78572 .47659 .30994 .0117 .0124 .0121 .0146 .0006 .0092 .0000 |
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O18 .80132 .49800 .44276 .0127 .0114 .0155 .0107 .0008 .0038 -.0001 |
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O19 .10128 .0692 .45750 .78 .0132 .0143 .0152 .0140 -.0001 .0059 -.0008 |
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F19 .10128 .0692 .45750 .23 .0132 .0143 .0152 .0140 -.0001 .0059 -.0008 |
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H1 .097 .074 .4238 .78 .016 |
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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 (permalink) |
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Katayamalite |
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Kato T, Murakami N |
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Mineralogical Journal 12 (1985) 206-217 |
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The crystal structure of katayamalite |
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Locality: Iwagi Islet, Ehime Prefecture, Japan |
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_database_code_amcsd 0014425 |
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9.721 16.923 19.942 91.43 104.15 89.94 C-1 |
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atom x y z occ Biso |
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K .446 .375 .750 .89 1.95 |
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Na .446 .375 .750 .11 1.95 |
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Li1 .192 .627 .750 1.18 |
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Li2 .693 .621 .753 .90 |
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Li3 .458 .875 .749 .90 |
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Ca1 0 0 0 .74 |
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Ca2 .25 .25 .5 .66 |
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Ca3 .434 .286 .013 .67 |
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Ca4 .139 .428 .000 .66 |
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Ca5 .213 .642 -.007 .70 |
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Ca6 .171 .464 .487 .68 |
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Ca7 .470 .608 .507 .72 |
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Ca8 .111 .678 .500 .60 |
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Ti1 .445 .709 .748 .975 .41 |
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Fe1 .445 .709 .748 .025 .41 |
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Ti2 .446 .041 .752 .975 .37 |
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Fe2 .446 .041 .752 .025 .37 |
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Si1 .253 .499 .860 .39 |
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Si2 .564 .561 .859 .43 |
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Si3 .810 .439 .860 .36 |
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Si4 .745 .256 .859 .42 |
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Si5 .439 .192 .862 .30 |
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Si6 .195 .316 .860 .38 |
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Si7 .300 .689 .360 .32 |
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Si8 .544 .811 .359 .38 |
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Si9 .856 .749 .360 .44 |
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Si10 -.085 .566 .360 .43 |
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Si11 .673 .442 .362 .44 |
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Si12 .364 .506 .359 .45 |
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O1 .230 .405 .841 1.00 |
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O2 .141 .550 .806 .69 |
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O3 .253 .517 .939 .90 |
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O4 .413 .515 .851 1.23 |
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O5 .555 .628 .804 .84 |
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O6 .621 .591 .938 .85 |
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O7 .670 .494 .841 .92 |
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O8 .909 .456 .809 .74 |
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O9 .891 .449 .942 .78 |
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O10 .744 .350 .845 1.03 |
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O11 .809 .207 .804 .73 |
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O12 .824 .241 .938 .82 |
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O13 .580 .230 .845 1.00 |
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O14 .381 .119 .810 .83 |
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O15 .469 .171 .942 .70 |
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O16 .326 .264 .845 1.02 |
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O17 .047 .291 .808 .70 |
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O18 .195 .311 .941 .76 |
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O19 .353 .600 .345 1.07 |
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O20 .150 .706 .309 .74 |
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O21 .301 .700 .441 .72 |
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O22 .422 .743 .340 .91 |
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O23 .499 .879 .304 .79 |
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O24 .568 .840 .438 .87 |
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O25 .687 .765 .350 1.13 |
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O26 .913 .799 .306 .77 |
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O27 -.063 .768 .439 .86 |
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O28 .860 .655 .340 .80 |
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O29 .010 .542 .308 .66 |
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O30 -.002 .562 .441 .69 |
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O31 .769 .514 .345 1.08 |
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O32 .679 .370 .310 .74 |
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O33 .722 .420 .442 .74 |
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O34 .515 .480 .345 1.04 |
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O35 .245 .457 .304 .94 |
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O36 .365 .491 .438 .82 |
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OH1 .453 .623 .043 .88 .69 |
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F1 .453 .623 .043 .12 .69 |
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OH2 .340 .372 .543 .88 .69 |
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F2 .340 .372 .543 .12 .69 |
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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 (permalink) |
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