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Tunellite |
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Clark J R |
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American Mineralogist 49 (1964) 1549-1568 |
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The crystal structure of tunellite, SrB6O9(OH)2.3H2O |
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Locality: Jenifer mine, Kramer borate district, California, USA |
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_database_code_amcsd 0000129 |
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14.390 8.213 9.934 90 114.03 90 P2_1/a |
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atom x y z Biso |
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Sr .1621 .0562 .1949 1.23 |
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B1 .1941 .1509 .8490 1.31 |
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B2 .1940 .1561 .5854 .88 |
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B3 .0429 .2475 .6248 1.24 |
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B4 .1867 .4550 .2202 .75 |
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B5 .2534 .3889 .4865 1.27 |
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B6 .2513 .3883 .0221 1.20 |
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O1 .1944 .0254 .9525 1.67 |
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O2 .2028 .0376 .4823 1.83 |
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OH3 .0501 .6806 .4257 1.99 |
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Wat4 .9982 .1682 .2383 2.44 |
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OH5 .0905 .5360 .1721 2.10 |
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O6 .2417 .7988 .3989 1.46 |
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O7 .2079 .3413 .3396 1.56 |
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O8 .2382 .7853 .0815 1.53 |
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O9 .1941 .3498 .1011 1.47 |
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O10 .0889 .2117 .7728 1.28 |
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O11 .0871 .2102 .5344 1.23 |
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Wat12 .0208 .8401 .0676 1.59 |
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Wat13 .1392 .5802 .7117 2.01 |
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O14 .2272 .0828 .7338 1.06 |
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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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Tunellite |
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Burns P C, Hawthorne F C |
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The Canadian Mineralogist 32 (1994) 895-902 |
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Hydrogen bonding in tunellite |
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_database_code_amcsd 0005416 |
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14.415 8.213 9.951 90 114.05 90 P2_1/a |
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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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Sr .16216 .05603 .19511 .0199 .0121 .0084 -.0008 .0085 -.0008 |
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B1 .1925 .1548 .8474 .0099 .0094 .0087 .0010 .0046 -.0007 |
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B2 .1923 .1590 .5854 .0133 .0091 .0073 -.0013 .0053 -.0015 |
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B3 .0432 .2489 .6286 .0155 .0144 .0102 -.0007 .0053 -.0001 |
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B4 .1909 .4530 .2190 .0170 .0094 .0065 -.0027 .0072 .0011 |
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B5 .2537 .3916 .4832 .0163 .0109 .0082 .0031 .0078 .0027 |
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B6 .2521 .3881 .0227 .0082 .0110 .0079 .0023 .0017 .0007 |
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H1 .057 .659 .337 .0570 |
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H2 .95 .077 .204 .0570 |
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H3 .022 .165 .340 .0570 |
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H4 .038 .461 .139 .0570 |
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H5 .045 .730 .084 .0570 |
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H6 -.013 .832 .132 .0570 |
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H7 .111 .630 .774 .0570 |
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H8 .105 .604 .612 .0570 |
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O1 .1933 .0287 .9513 .0199 .0129 .0110 .0044 .0100 .0055 |
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O2 .2011 .0413 .4814 .0260 .0103 .0083 .0032 .0081 -.0001 |
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Oh3 .0513 .6818 .4274 .0202 .0492 .0169 .0158 .0082 .0116 |
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OW4 .9996 .1712 .2355 .0327 .0476 .0168 .0009 .0027 -.0091 |
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Oh5 .0943 .5346 .1759 .0140 .0190 .0279 .0008 .0091 -.0014 |
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O6 .2427 .8011 .3995 .0225 .0100 .0103 .0019 .0084 -.0016 |
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O7 .2085 .3405 .3409 .0265 .0098 .0084 -.0055 .0079 -.0006 |
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O8 .2381 .7884 .0797 .0205 .0128 .0121 .0017 .0107 .0047 |
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O9 .1947 .3512 .0993 .0213 .0113 .0112 -.0039 .0101 -.0057 |
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O10 .0895 .2126 .7740 .0143 .0192 .0086 .0074 .0071 .0034 |
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O11 .0866 .2093 .5338 .0172 .0212 .0068 .0060 .0046 .0024 |
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OW12 .0221 .8404 .0693 .0328 .0214 .0289 .0011 .0226 .0027 |
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OW13 .1410 .5794 .7144 .0291 .0385 .0183 .0100 .0069 .0079 |
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O14 .2259 .0794 .7357 .0163 .0077 .0038 .0002 .0061 .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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Tunellite |
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Clark J R |
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Science 141 (1963) 1178-1179 |
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Boron-oxygen polyanion in the crystal structure of tunellite |
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Locality: Jenifer mine, Kramer borate district, California, USA |
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_database_code_amcsd 0018902 |
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14.36 8.198 9.930 90 113.92 90 P2_1/a |
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atom x y z |
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Sr .162 .056 .195 |
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B1 .194 .151 .849 |
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B2 .194 .156 .585 |
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B3 .043 .248 .625 |
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B4 .187 .455 .220 |
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B5 .253 .389 .486 |
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B6 .251 .388 .022 |
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O1 .194 .025 .952 |
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O2 .203 .038 .482 |
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OH3 .050 .681 .426 |
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Wat4 .998 .168 .238 |
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OH5 .090 .536 .172 |
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O6 .242 .799 .399 |
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O7 .208 .341 .340 |
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O8 .238 .785 .081 |
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O9 .194 .350 .101 |
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O10 .089 .212 .773 |
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O11 .087 .210 .534 |
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Wat12 .021 .840 .068 |
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Wat13 .139 .580 .712 |
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O14 .227 .083 .734 |
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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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