American Mineralogist Crystal Structure Database

3 matching records for this search.

Tunellite
Download hom/tunellite.pdf
Clark J R
Download am/vol49/AM49_1549.pdf
American Mineralogist 49 (1964) 1549-1568
The crystal structure of tunellite, SrB6O9(OH)2.3H2O
Locality: Jenifer mine, Kramer borate district, California, USA
_database_code_amcsd 0000129
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
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View JMOL 3-D Structure (permalink)
 
Tunellite
Download hom/tunellite.pdf
Burns P C, Hawthorne F C
Download cm/vol32/CM32_895.pdf
The Canadian Mineralogist 32 (1994) 895-902
Hydrogen bonding in tunellite
_database_code_amcsd 0005416
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
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tunellite
Download hom/tunellite.pdf
Clark J R
 
Science 141 (1963) 1178-1179
Boron-oxygen polyanion in the crystal structure of tunellite
Locality: Jenifer mine, Kramer borate district, California, USA
_database_code_amcsd 0018902
14.36 8.198 9.930 90 113.92 90 P2_1/a
atom     x    y    z
Sr    .162 .056 .195
B1    .194 .151 .849
B2    .194 .156 .585
B3    .043 .248 .625
B4    .187 .455 .220
B5    .253 .389 .486
B6    .251 .388 .022
O1    .194 .025 .952
O2    .203 .038 .482
OH3   .050 .681 .426
Wat4  .998 .168 .238
OH5   .090 .536 .172
O6    .242 .799 .399
O7    .208 .341 .340
O8    .238 .785 .081
O9    .194 .350 .101
O10   .089 .212 .773
O11   .087 .210 .534
Wat12 .021 .840 .068
Wat13 .139 .580 .712
O14   .227 .083 .734
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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Total number of retrieved datasets: 3
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