Clark J R
American Mineralogist 49 (1964) 1549-1568
The crystal structure of tunellite, SrB6O9(OH)2.3H2O
14.390 8.213 9.934 90 114.03 90 P2_1/a
atom x y z Biso
Sr .1621 .0562 .1949 1.23
B1 .1941 .1509 .8490 1.31
B2 .1940 .1561 .5854 .88
B3 .0429 .2475 .6248 1.24
B4 .1867 .4550 .2202 .75
B5 .2534 .3889 .4865 1.27
B6 .2513 .3883 .0221 1.20
O1 .1944 .0254 .9525 1.67
O2 .2028 .0376 .4823 1.83
OH3 .0501 .6806 .4257 1.99
Wat4 .9982 .1682 .2383 2.44
OH5 .0905 .5360 .1721 2.10
O6 .2417 .7988 .3989 1.46
O7 .2079 .3413 .3396 1.56
O8 .2382 .7853 .0815 1.53
O9 .1941 .3498 .1011 1.47
O10 .0889 .2117 .7728 1.28
O11 .0871 .2102 .5344 1.23
Wat12 .0208 .8401 .0676 1.59
Wat13 .1392 .5802 .7117 2.01
O14 .2272 .0828 .7338 1.06
Burns P C, Hawthorne F C
The Canadian Mineralogist 32 (1994) 895-902
Hydrogen bonding in tunellite
14.415 8.213 9.951 90 114.05 90 P2_1/a
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sr .16216 .05603 .19511 .0199 .0121 .0084 -.0008 .0085 -.0008
B1 .1925 .1548 .8474 .0099 .0094 .0087 .0010 .0046 -.0007
B2 .1923 .1590 .5854 .0133 .0091 .0073 -.0013 .0053 -.0015
B3 .0432 .2489 .6286 .0155 .0144 .0102 -.0007 .0053 -.0001
B4 .1909 .4530 .2190 .0170 .0094 .0065 -.0027 .0072 .0011
B5 .2537 .3916 .4832 .0163 .0109 .0082 .0031 .0078 .0027
B6 .2521 .3881 .0227 .0082 .0110 .0079 .0023 .0017 .0007
H1 .057 .659 .337 .0570
H2 .95 .077 .204 .0570
H3 .022 .165 .340 .0570
H4 .038 .461 .139 .0570
H5 .045 .730 .084 .0570
H6 -.013 .832 .132 .0570
H7 .111 .630 .774 .0570
H8 .105 .604 .612 .0570
O1 .1933 .0287 .9513 .0199 .0129 .0110 .0044 .0100 .0055
O2 .2011 .0413 .4814 .0260 .0103 .0083 .0032 .0081 -.0001
Oh3 .0513 .6818 .4274 .0202 .0492 .0169 .0158 .0082 .0116
OW4 .9996 .1712 .2355 .0327 .0476 .0168 .0009 .0027 -.0091
Oh5 .0943 .5346 .1759 .0140 .0190 .0279 .0008 .0091 -.0014
O6 .2427 .8011 .3995 .0225 .0100 .0103 .0019 .0084 -.0016
O7 .2085 .3405 .3409 .0265 .0098 .0084 -.0055 .0079 -.0006
O8 .2381 .7884 .0797 .0205 .0128 .0121 .0017 .0107 .0047
O9 .1947 .3512 .0993 .0213 .0113 .0112 -.0039 .0101 -.0057
O10 .0895 .2126 .7740 .0143 .0192 .0086 .0074 .0071 .0034
O11 .0866 .2093 .5338 .0172 .0212 .0068 .0060 .0046 .0024
OW12 .0221 .8404 .0693 .0328 .0214 .0289 .0011 .0226 .0027
OW13 .1410 .5794 .7144 .0291 .0385 .0183 .0100 .0069 .0079
O14 .2259 .0794 .7357 .0163 .0077 .0038 .0002 .0061 .0006
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Total number of retrieved datasets: 2 View in amc, download in amc
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