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Garrelsite |
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Ghose S, Wan C, Ulbrich H H |
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Acta Crystallographica B32 (1976) 824-832 |
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Structural chemistry of borosilicates. I. Garrelsite, NaBa3Si2B7O16(OH)4, a |
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silicoborate with the pentaborate [B5O12]9- polyanion |
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Locality: South Ouray, Utah |
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_database_code_amcsd 0009552 |
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14.639 8.466 13.438 90 114.21 90 C2/c |
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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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Na .25 -.25 .5 1.165 .00114 .00523 .00195 -.00052 .00060 -.00018 |
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Ba1 0 .59316 .25 .682 .00080 .00225 .00121 0 .00025 0 |
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Ba2 .20878 .06623 .69714 .603 .00098 .00191 .00100 -.00020 .00047 -.00006 |
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Si .36481 .10344 .49211 .403 |
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B1 .44136 -.18705 .46699 .495 .00074 .00151 .00096 -.00005 .00043 -.00011 |
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B2 .15777 .15868 .38052 .457 .00064 .00171 .00073 -.00003 .00030 .00019 |
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B3 .08095 -.05896 .44539 .557 .00067 .00187 .00111 -.00002 .00037 -.00004 |
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B4 0 .01509 .25 .474 |
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O1 .04806 .31989 .53726 .630 .00050 .00278 .00119 -.00024 .00029 .00027 |
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O2 .38512 -.08553 .51380 .603 .00106 .00137 .00138 .00025 .00078 .00013 |
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O3 .09432 -.14939 .53367 .607 .00120 .00140 .00075 -.00047 .00023 .00009 |
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O4 .01130 -.09158 .34249 .610 .00091 .00177 .00094 -.00036 .00021 .00019 |
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O5 .35920 .17100 .60324 .595 .00108 .00156 .00108 .00002 .00057 -.00022 |
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O6 .14845 .06169 .46626 .629 .00104 .00228 .00081 -.00074 .00038 .00002 |
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O7 .23914 .36016 .61444 .559 .00044 .00282 .00086 .00016 .00020 .00010 |
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O8 .09008 .10786 .27316 .521 .00053 .00216 .00086 -.00044 .00019 -.00012 |
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OH1 .18539 -.30397 .31420 .533 .00061 .00241 .00082 -.00007 .00032 .00028 |
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OH2 .41549 -.13809 .35321 .651 .00120 .00214 .00084 .00012 .00046 .00022 |
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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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