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Xonotlite |
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Hejny C, Armbruster T |
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Zeitschrift fur Kristallographie 216 (2001) 396-408 |
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Polytypism in xonotlite Ca6Si6O17(OH)2 |
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Note: polytype derived from structure in Kudoh and Takeuchi (1979) |
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Locality: model structure, not experimentally determined |
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_database_code_amcsd 0011088 |
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17.032 7.363 14.023 90 90.36 90 A2/a |
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atom x y z |
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Ca1 .2730 .8755 .7523 |
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Ca2 .0668 .1311 .6684 |
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Ca3 .0693 .6191 .6707 |
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Si1 .1059 .1641 .3841 |
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Si2 .1059 .5860 .3843 |
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Si3 .1591 .8752 .5281 |
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O1 .25 .375 0 |
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O2 .1095 .3756 .4211 |
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O3 .1756 .6301 .3096 |
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O4 .1717 .1201 .3087 |
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O5 .1149 .0542 .4860 |
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O6 .1147 .6965 .4858 |
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O7 .0212 .6276 .3326 |
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O8 .0215 .1223 .3370 |
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O9 .1494 .8759 .6390 |
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O10 .1489 .3737 .6347 |
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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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Xonotlite |
|
Hejny C, Armbruster T |
|
Zeitschrift fur Kristallographie 216 (2001) 396-408 |
|
Polytypism in xonotlite Ca6Si6O17(OH)2 |
|
Note: polytype derived from structure in Kudoh and Takeuchi (1979) |
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Locality: model structure, not experimentally determined |
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_database_code_amcsd 0011089 |
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8.712 7.363 7.012 89.99 90.36 102.18 P-1 |
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atom x y z |
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Ca1 .5 .5 .5 |
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Ca2 .5 0 .5 |
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Ca3 .1335 .1645 .3368 |
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Ca4 .1385 .6537 .3414 |
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Si1 .2118 .2170 .7682 |
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Si2 .2118 .6389 .7686 |
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Si3 .3182 .9547 .0562 |
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O1 .5 0 0 |
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O2 .2190 .4303 .8422 |
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O3 .3512 .7179 .6192 |
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O4 .3434 .2059 .6174 |
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O5 .2297 .1116 .9720 |
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O6 .2294 .7538 .9716 |
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O7 .0424 .6382 .6652 |
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O8 .0463 .1339 .6740 |
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O9 .2988 .9506 .2780 |
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O10 .2977 .4481 .2694 |
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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) |
| |
|
Xonotlite |
|
Hejny C, Armbruster T |
|
Zeitschrift fur Kristallographie 216 (2001) 396-408 |
|
Polytypism in xonotlite Ca6Si6O17(OH)2 |
|
Note: polytype derived from structure in Kudoh and Takeuchi (1979) |
|
Locality: model structure, not experimentally determined |
|
_database_code_amcsd 0011090 |
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17.032 7.363 7.012 90 90.36 90 P2/a |
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atom x y z |
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Ca1 .25 .375 .5 |
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Ca2 .25 .875 .5 |
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Ca3 .0668 .1311 .3368 |
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Ca4 .0693 .6191 .3414 |
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Si1 .1059 .1641 .7682 |
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Si2 .1059 .5860 .7686 |
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Si3 .1591 .8752 .0562 |
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O1 .25 .875 0 |
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O2 .1095 .3756 .8422 |
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O3 .1756 .6301 .6192 |
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O4 .1717 .1201 .6174 |
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O5 .1149 .0542 .9720 |
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O6 .1147 .6965 .9716 |
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O7 .0212 .6276 .6652 |
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O8 .0215 .1223 .6740 |
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O9 .1494 .8759 .2780 |
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O10 .1489 .3737 .2694 |
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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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Xonotlite |
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Kudoh Y, Takeuchi Y |
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Mineralogical Journal 9 (1979) 349-373 |
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Polytypism in xonotlite: (I) Structure of an A-1 polytype |
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Locality: Heguri, Chiba Prefecture, Japan |
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_database_code_amcsd 0014421 |
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8.712 7.363 14.023 89.99 90.36 102.18 A-1 |
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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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Ca1 .5046 .0016 .2523 .59 .0013 .0025 .0011 .0002 -.0003 -.0001 |
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Ca2 .1335 .1645 .1684 .84 .0028 .0030 .0014 .0011 .0003 .0005 |
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Ca3 .1385 .6537 .1707 .59 .0020 .0022 .0010 .0007 .0000 .0001 |
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Si1 .2118 .2170 .8841 .52 .0022 .0015 .0008 .0004 .0000 .0004 |
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Si2 .2118 .6389 .8843 .52 .0019 .0017 .0008 .0005 .0000 .0000 |
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Si3 .3182 .9547 .0281 .49 .0013 .0021 .0008 .0003 .0001 -.0001 |
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O1 .5 0 0 1.65 .0032 .0090 .0027 .0008 .0006 -.0003 |
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O2 .2190 .4303 .9211 1.21 .0061 .0042 .0014 .0020 -.0003 -.0001 |
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O3 .3512 .7179 .8096 .97 .0032 .0041 .0014 .0009 .0007 .0000 |
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O4 .3434 .2059 .8087 .96 .0032 .0039 .0014 .0002 .0000 .0004 |
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O5 .2297 .1116 .9860 1.00 .0041 .0048 .0012 .0021 .0000 .0004 |
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O6 .2294 .7538 .9858 1.07 .0045 .0047 .0011 .0003 .0002 -.0004 |
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O7 .0424 .6382 .8326 .92 .0015 .0040 .0019 .0007 -.0013 -.0002 |
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O8 .0463 .1339 .8370 .94 .0031 .0056 .0009 .0002 .0007 .0004 |
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O9 .2988 .9506 .1390 .49 .0028 .0024 .0002 .0002 -.0004 .0001 |
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OH10 .2977 .4481 .1347 1.32 .0025 .0069 .0023 .0010 -.0002 -.0003 |
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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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