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Trabzonite |
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Armbruster T, Lazic B, Galuskina I O, Galuskin E V, Gnos E, Marzec K M, Gazeev V M |
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Mineralogical Magazine 76 (2012) 455-472 |
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Trabzonite, Ca4[Si3O9(OH)]OH: crystal structure, revised formula, new occurrence |
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and relation to killalaite |
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Locality: Ikizdere, Turkey |
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_database_code_amcsd 0018996 |
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20.5805 10.3240 9.1053 90 90 90 Ama2 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .35412 .09773 .05961 .0113 .0105 .0120 .0114 -.0006 -.0023 .0006 |
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Ca2 .36296 .09381 .43914 .0105 .0101 .0101 .0112 .0014 .0007 .0010 |
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Ca3 .25 .11905 -.2611 .0146 .0095 .0164 .0178 .000 .000 .0064 |
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Ca4 .50 .0 .6235 .0124 .0091 .0183 .0098 -.0026 .000 .000 |
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Ca5 .25 -.16686 -.05094 .0118 .0083 .0120 .0152 .000 .000 .0036 |
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Ca6 .50 .0 .21685 .0107 .0108 .0114 .0101 .0003 .000 .000 |
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Si1 .37313 -.11729 -.2419 .0089 .0090 .0081 .0095 .0001 .0008 .0003 |
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Si2 .49671 .21342 -.09381 .0083 .0077 .0078 .0094 -.0013 .0002 .0002 |
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Si3 .37396 -.19912 .2484 .0098 .0105 .0094 .0096 -.0008 -.0011 .0002 |
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O1 .4747 .1420 .4274 .0118 .015 .0100 .0104 -.0005 -.0028 .0004 |
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O2 .4642 .1475 .0456 .0137 .016 .0138 .011 .0002 .0036 .0040 |
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O3 .4417 .2172 .7699 .0146 .014 .0156 .014 .0029 -.0014 -.0002 |
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O4 .4463 -.1172 -.1639 .0140 .008 .0143 .019 .0000 -.0055 .0015 |
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O5 .3897 -.0476 .2382 .0120 .013 .0093 .0132 -.0014 -.0027 .0004 |
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O6 .3386 -.2573 -.2348 .0117 .014 .0088 .012 -.0003 -.0008 .0001 |
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O7 .3312 -.2560 .1179 .0105 .008 .014 .0096 -.0017 -.0048 -.0012 |
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O8 .3262 -.0170 -.1541 .0108 .009 .0100 .014 .0007 .0002 .0003 |
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O9 .3881 .9311 .5932 .0139 .013 .017 .012 -.0026 .0003 .0042 |
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O10 .3297 .7773 .3999 .0146 .014 .015 .014 -.0011 .0047 -.0011 |
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O11 .2500 .0154 .1062 .0189 .014 .021 .021 .000 .000 -.004 |
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O12 .2500 .0504 .4835 .0189 .016 .016 .025 .000 .000 -.002 |
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H10 .348 .819 .485 .050 |
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H11 .25 .019 .211 .050 |
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H12 .25 -.040 .457 .050 |
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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