|
Sibirskite |
 |
Sun W, Huang Y-X, Li Z, Pan Y, Mi J-X |
| |
The Canadian Mineralogist 49 (2011) 823-834 |
|
Hydrothermal synthesis and single-crystal X-ray structure refinement of |
|
three borates: sibirskite, parasibirskite and priceite |
|
Locality: synthetic |
|
Note: T = 295 K |
|
_database_code_amcsd 0018463 |
|
3.5624 9.5225 8.6231 90 119.452 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca(1) .50358 .49298 .71256 .0103 .0103 .0117 -.0004 .0056 -.0005 |
|
H(1) -.006 .887 .938 .0350 |
|
B(1) .1405 .2363 .4250 .0056 .0153 .0094 -.0002 .0035 -.0001 |
|
O(1) .1641 .3794 .4262 .0129 .0087 .0111 .0005 .0055 -.0013 |
|
O(2) .1026 .1525 .2908 .0134 .0117 .0123 -.0019 .0073 -.0030 |
|
O(3) .1282 .1669 .5671 .0274 .0108 .0162 .0025 .0142 .0027 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Parasibirksite |
| |
Sun W, Huang Y-X, Li Z, Pan Y, Mi J-X |
| |
The Canadian Mineralogist 49 (2011) 823-834 |
|
Hydrothermal synthesis and single-crystal X-ray structure refinement of |
|
three borates: sibirskite, parasibirskite and priceite |
|
Locality: synthetic |
|
Note: T = 295 K |
|
_database_code_amcsd 0018464 |
|
6.6994 5.4269 3.5534 90 93.048 90 P2_1/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca(1) .35260 .25 .24837 .0115 .0072 .0094 0 .00105 0 |
|
H(1) -.030 .863 .974 .5 .0480 |
|
B(1) .2251 .75 .7704 .0092 .0112 .0088 0 -.0002 0 |
|
O(1) .0236 .75 .8724 .0115 .0293 .0322 0 .0074 0 |
|
O(2) .3188 .5318 .7367 .0198 .0085 .0119 -.0002 .0026 -.0003 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Parasibirskite |
|
Sun W, Huang Y-X, Li Z, Pan Y, Mi J-X |
| |
The Canadian Mineralogist 49 (2011) 823-834 |
|
Hydrothermal synthesis and single-crystal X-ray structure refinement of |
|
three borates: sibirskite, parasibirskite and priceite |
|
Locality: synthetic |
|
Note: T = 173 K |
|
_database_code_amcsd 0018465 |
|
6.6798 5.4208 3.5466 90 93.245 90 P2_1/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca(1) .35264 .25 .24743 .0068 .0053 .0058 0 .00079 0 |
|
H(1) -.006 .887 .938 .5 .0350 |
|
B(1) .2242 .75 .7690 .0054 .0112 .0042 0 -.0003 0 |
|
O(1) .0227 .75 .8727 .0073 .0244 .0207 0 .0037 0 |
|
O(2) .3186 .5316 .7353 .0128 .0061 .0080 -.0004 .0013 -.0003 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Priceite |
|
Sun W, Huang Y-X, Li Z, Pan Y, Mi J-X |
| |
The Canadian Mineralogist 49 (2011) 823-834 |
|
Hydrothermal synthesis and single-crystal X-ray structure refinement of |
|
three borates: sibirskite, parasibirskite and priceite |
|
Locality: synthetic |
|
Note: T = 173 K |
|
_database_code_amcsd 0018466 |
|
11.580 6.9844 12.352 90 110.573 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca(1) .00800 .75771 .57987 .0077 .0058 .0061 -.0002 .0028 .0006 |
|
Ca(2) .30866 .24418 .37863 .0085 .0064 .0062 .0001 .0030 -.0007 |
|
OW(1) .5087 .3473 .3950 .0129 .0268 .0183 -.0059 .0043 .0026 |
|
B(1) .2490 .7492 .3541 .005 .010 .008 -.0012 .0028 -.0026 |
|
B(2) .0181 .7255 .3284 .008 .006 .0046 .0006 .0001 -.0012 |
|
B(3) .1845 .5344 .4811 .009 .005 .007 -.0013 .0026 -.0021 |
|
B(4) .3032 .2810 .6271 .009 .009 .0025 -.0010 .0010 .0000 |
|
B(5) .2899 .6203 .6904 .0064 |
|
O(1) .3200 .7557 .7756 .0101 .0058 .0058 -.0009 .0053 -.0018 |
|
O(2) .2975 .9158 .4342 .0104 .0067 .0089 -.0003 .0028 -.0032 |
|
O(3) .2667 .5707 .4177 .0082 .0074 .0048 .0004 .0019 .0011 |
|
O(4) .1163 .7835 .2860 .0086 .0093 .0077 .0004 .0035 .0044 |
|
O(5) -.0206 .8926 .3870 .0094 .0093 .0109 -.0007 .0060 .0011 |
|
O(6) -.0907 .6732 .2256 .0076 .0066 .0068 -.0005 .0003 .001 |
|
O(7) .0546 .5652 .4098 .0107 .0049 .0068 -.0013 .0040 .0011 |
|
O(8) .2121 .6706 .5819 .0089 .0061 .0061 .0007 .0027 -.0002 |
|
O(9) .1995 .3349 .5215 .0097 .0051 .0050 -.0005 .0016 .0011 |
|
O(10) .2670 .1177 .6820 .0102 .0060 .0088 .0005 .0023 .0027 |
|
O(11) .4076 .2472 .5891 .0065 .0144 .0094 .0033 .0027 .0004 |
|
O(12) .3312 .4351 .7148 .0129 .0053 .0071 .0007 .0047 .0004 |
|
H(1) .4797 .2262 .6364 .06 |
|
H(2) .3132 .0114 .7063 .035 |
|
H(3) .2568 .9304 .4858 .047 |
|
H(4) -.1021 .8704 .3779 .063 |
|
H(5) -.1029 .5464 .2345 .048 |
|
H(6) .5543 .2638 .44 .05 |
|
H(7) .5328 .466 .3998 .05 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
