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Sulvanite |
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Trojer F J |
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American Mineralogist 51 (1966) 890-894 |
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Refinement of the structure of sulvanite |
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Note: symmetry constraints on B(i,j) reported incorrectly |
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_database_code_amcsd 0000146 |
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5.3912 5.3912 5.3912 90 90 90 P-43m |
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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 1/2 0 0 .0081 .0122 .0122 0 0 0 |
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V 0 0 0 .0036 .0036 .0036 0 0 0 |
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S .2372 .2372 .2372 .0088 .0088 .0088 .0018 .0018 .0018 |
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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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CaSiO3 |
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Trojer F J |
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Zeitschrift fur Kristallographie 130 (1969) 185-206 |
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The crystal structure of a high pressure polymorph of CaSiO3 |
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Note: high-pressure polymorph of wollastonite synthesized at 6.5 GPa, 1300 C |
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Locality: synthetic |
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_database_code_amcsd 0010698 |
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6.695 9.257 6.666 86.50 76.133 70.383 P-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 .7441 .0002 .7623 1.16 .0059 .0062 .0029 -.0024 -.0008 .0005 |
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Ca2 .8789 .3513 .5846 1.25 .0047 .0065 .0048 -.0016 -.0007 .0000 |
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Ca3 .2443 .3356 .9245 1.08 .0048 .0064 .0023 -.0019 -.0014 -.0002 |
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Si1 .3684 .2951 .3916 .94 .0023 .0060 .0023 -.0010 -.0003 -.0008 |
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Si2 .7583 .0162 .2701 .95 .0048 .0051 .0024 -.0016 -.0011 -.0006 |
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Si3 .7218 .3009 .0416 1.07 .0050 .0063 .0019 -.0018 -.0006 -.0004 |
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O1 .2150 .2564 .2656 1.55 .0038 .0110 .0038 -.0035 -.0030 .0013 |
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O2 .2140 .4055 .5843 .87 .0018 .0044 .0040 0 -.0001 -.0009 |
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O3 .5556 .1359 .4518 1.11 .0106 .0067 .0039 -.0057 -.0024 .0004 |
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O4 .3391 .0612 .8715 1.58 .0062 .0096 .0053 -.0045 -.0047 .0009 |
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O5 .0629 .0932 .6140 1.51 .0067 .0073 .0067 -.0026 .0033 .0004 |
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O6 .8661 .1386 .1353 1.55 .0059 .0074 .0094 -.0036 -.0037 .0005 |
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O7 .6282 .2629 .8591 1.52 .0055 .0100 .0034 -.0039 -.0024 -.0005 |
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O8 .8650 .4031 .9540 1.19 .0057 .0048 .0034 -.0019 -.0021 0 |
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O9 .5154 .3853 .2426 1.20 .0038 .0078 .0022 -.0021 .0004 .0002 |
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