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Wollastonite-2M |
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Trojer F J |
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Zeitschrift fur Kristallographie 127 (1968) 291-308 |
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The crystal structure of parawollastonite |
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Locality: Crestmore, California, USA |
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_database_code_amcsd 0010667 |
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15.426 7.320 7.066 90 95.404 90 P2_1/a |
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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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Ca1 .2482 .3758 .9712 .00078 .00337 .00157 -.00001 .00009 .00013 |
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Ca2 .4011 .6265 .7397 .00082 .00283 .00335 -.00004 .00003 -.00092 |
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Ca3 .3987 .1209 .7364 .00091 .00265 .00336 .00034 .00009 .00024 |
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Si1 .4076 .0907 .2313 .00070 .00076 .00257 .00006 -.00013 -.00008 |
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Si2 .4075 .6598 .2313 .00072 .00152 .00248 -.00005 -.00010 .00004 |
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Si3 .3016 .3761 .4432 .00030 .00368 .00209 -.00003 .00006 .00017 |
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O1 .3000 .3747 .6685 .00059 .00428 .00015 -.00017 .00026 .00011 |
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O2 .2156 .3759 .3031 .00101 .00422 .00144 -.00007 .00071 .00034 |
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O3 .3490 .1397 .0328 .00143 .00143 .00101 .00024 -.00047 -.00053 |
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O4 .3473 .6157 .0348 .00126 .00456 .00159 .00007 -.00058 -.00056 |
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O5 .5086 .1226 .2388 .00091 .00335 .00720 .00158 .00023 -.00012 |
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O6 .5078 .6176 .2347 .00073 .00258 .00698 .00082 .00004 .00126 |
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O7 .3642 .1962 .4060 .00141 .00199 .00057 .00082 -.00058 .00010 |
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O8 .3633 .5533 .4067 .00114 .00239 .00122 -.00060 -.00050 .00020 |
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O9 .3906 .8755 .2767 .00077 .00215 .00362 -.00005 .00095 .00033 |
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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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Wollastonite-2M |
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Hesse K-F |
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Zeitschrift fur Kristallographie 168 (1984) 93-98 |
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Refinement of the crystal structure of wollastonite-2M (parawollastonite) |
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_database_code_amcsd 0010870 |
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15.409 7.322 7.063 90 95.30 90 P2_1/a |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .2483 .3754 .9726 .0068 .0069 .0071 -.0001 .0010 -.0002 |
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Ca2 .4006 .6236 .7389 .0078 .0075 .0076 -.0010 .0013 -.0012 |
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Ca3 .3986 .1179 .7360 .0086 .0054 .0073 .0009 .0012 .0007 |
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Si1 .4076 .0920 .2311 .0058 .0055 .0058 .0002 .0003 -.0006 |
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Si2 .4075 .6585 .2310 .0057 .0065 .0058 .0000 -.0001 .0005 |
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Si3 .3015 .3760 .4436 .0061 .0066 .0046 .0003 .0001 .0001 |
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O1 .2991 .3722 .6706 .0091 .0101 .0045 .0021 .0009 -.0019 |
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O2 .2141 .3737 .3010 .0074 .0114 .0075 .0031 -.0012 -.0031 |
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O3 .3493 .1346 .0354 .0082 .0149 .0065 .0020 -.0006 .0009 |
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O4 .3479 .6121 .0361 .0083 .0078 .0065 -.001 -.0009 .0002 |
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O5 .5096 .1187 .2369 .0059 .0077 .0176 -.0013 .0004 .0019 |
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O6 .5088 .6134 .2332 .0063 .0044 .0176 -.0010 .0001 .0016 |
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O7 .3641 .1969 .4060 .0107 .0095 .0076 .0029 .0015 -.0018 |
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O8 .3640 .5553 .4075 .0124 .0097 .0074 -.0036 .0003 .0021 |
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O9 .3908 .8753 .2753 .0158 .0063 .0143 .0002 .0031 -.0006 |
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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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Wollastonite-2M |
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Mamedov K S, Belov N V |
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Doklady Akademii Nauk SSSR 107 (1956) 463-466 |
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The crystal structure of wollastonite |
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_database_code_amcsd 0012435 |
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15.36 7.285 7.084 90 95.4 90 P2_1/a |
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atom x y z Biso |
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Ca1 .25 .375 0 .6 |
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Ca2 .602 .375 .263 .6 |
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Ca3 .602 .875 .263 .6 |
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Si1 .406 .080 .232 .6 |
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Si2 .406 .670 .232 .6 |
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Si3 .300 .375 .443 .6 |
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O1 .297 .375 .667 .6 |
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O2 .297 .875 .667 .6 |
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O3 .345 .125 .047 .6 |
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O4 .345 .625 .047 .6 |
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O5 .507 .125 .229 .6 |
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O6 .507 .625 .229 .6 |
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O7 .362 .198 .406 .6 |
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O8 .362 .552 .406 .6 |
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O9 .406 .875 .232 .6 |
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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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