American Mineralogist Crystal Structure Database

2 matching records for this search.

Volkovskite
Download hom/volkovskite.pdf
Poulin R S, Grice J D
 
The Canadian Mineralogist 51 (2013) 157-169
Volkovskite, a complex borate mineral: refined crystallographic data and optics
Locality: New Brunswick, Canada
_database_code_amcsd 0020421
6.535 24.185 6.589 92.626 119.132 97.298 P1
atom      x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K1    .0213 .0228 .0364 .0266  .0257  .0235  .0274  .0018  .0102  .0053
Ca1   .8127 .1649 .6598 .0125  .0125  .0153  .0103  .0014  .0059  .0021
Ca2   .7163 .5816 .3900 .0121  .0114  .0146  .0106  .0006  .0055  .0023
Ca3   .4952 .9069 .0217 .0122  .0120  .0146  .0104  .0009  .0059  .0012
Ca4   .1913 .4891 .3453 .0121  .0113  .0145  .0103  .0012  .0053  .0007
B1    .3001 .5993 .9027 .0095  .0074  .0153  .0065  .0008  .0038  .0014
B2    .3921 .9167 .4268 .0098  .0091  .0124  .0077  .0022  .0038  .0022
B3    .7658 .4710 .8406 .0096  .0084  .0136  .0074  .0012  .0044  .0016
B4    .3997 .1603 .1575 .0107  .0092  .0156  .0079  .0005  .0048  .0012
B5    .2369 .2648 .5598 .0146  .0162  .0174  .0079  .0009  .0040  .0023
B6    .7085 .1537 .0586 .0098  .0096  .0135  .0075  .0007  .0049  .0017
B7    .1590 .7007 .3302 .0143  .0179  .0139  .0090  .0004  .0051  .0013
B8    .5700 .3693 .1692 .0142  .0181  .0142  .0083  .0009  .0048  .0014
B9    .0792 .4800 .7489 .0086  .0078  .0124  .0058  .0010  .0033  .0020
B10   .8743 .8040 .8213 .0145  .0170  .0146  .0098  .0017  .0050  .0021
B11   .6090 .5900 .8024 .0087  .0083  .0125  .0059  .0009  .0040  .0014
B12   .8347 .2889 .7479 .0159  .0181  .0164  .0117  .0018  .0058  .0030
B13   .4549 .7819 .9840 .0159  .0178  .0169  .0113  .0009  .0061  .0003
B14   .0784 .9106 .5200 .0106  .0096  .0155  .0063  .0018  .0035  .0017
B15   .0375 .6112 .0812 .0087  .0082  .0128  .0058  .0004  .0040  .0011
B16   .9865 .8899 .1057 .0100  .0085  .0153  .0053  .0011  .0025  .0017
B17   .2203 .6126 .5060 .0088  .0083  .0118  .0064  .0009  .0036  .0017
B18   .4959 .4588 .0067 .0090  .0069  .0142  .0058  .0014  .0030  .0019
B19   .1356 .1714 .3345 .0098  .0079  .0156  .0061  .0004  .0035  .0019
B20   .3168 .1788 .7629 .0102  .0083  .0160  .0074  .0018  .0044  .0034
B21   .8098 .8975 .6853 .0097  .0082  .0154  .0047  .0008  .0025  .0017
B22   .6774 .4576 .4307 .0092  .0083  .0115  .0072  .0006  .0032  .0012
Cl1   .5277 .0221 .0626 .0229  .0296  .0174  .0217  .0003  .0130  .0005
O1    .1362 .1526 .5386 .0104  .0099  .0160  .0052  .0003  .0035  .0021
O2    .8165 .9147 .9059 .0099  .0096  .0152  .0048  .0026  .0034  .0015
O3    .0353 .9162 .7014 .0130  .0087  .0245  .0068  .0004  .0046  .0016
O4    .0383 .5866 .2787 .0087  .0081  .0131  .0044 -.0003  .0028  .0011
O5    .9155 .4876 .5228 .0103  .0071  .0172  .0057 -.0003  .0024  .0024
O6    .6037 .4675 .6101 .0109  .0081  .0188  .0055  .0010  .0033  .0012
O7    .1405 .6026 .6757 .0107  .0079  .0188  .0057  .0014  .0033  .0027
O8    .9045 .2535 .9137 .0211  .0300  .0181  .0101  .0012  .0055  .0036
O9    .8351 .5888 .8553 .0109  .0073  .0182  .0062  .0003  .0028  .0001
O10   .5405 .5983 .9708 .0115  .0076  .0204  .0067  .0010  .0039  .0008
O11   .3187 .9153 .5913 .0137  .0089  .0252  .0074  .0014  .0042  .0029
O12   .2415 .1666 .9329 .0129  .0087  .0251  .0068  .0028  .0049  .0042
O13   .0340 .6727 .1105 .0134  .0188  .0114  .0086  .0015  .0055  .0020
O14   .7819 .8348 .6378 .0146  .0205  .0141  .0072  .0015  .0052  .0008
O15   .5312 .8170 .1835 .0204  .0287  .0173  .0102  .0019  .0060 -.0002
O16   .2297 .9140 .1939 .0119  .0080  .0210  .0061 -.0005  .0030  .0015
O17   .7214 .4750 .0203 .0119  .0088  .0210  .0072 -.0001  .0050  .0012
O18   .3525 .1553 .3333 .0134  .0087  .0263  .0075  .0030  .0053  .0042
O19   .2712 .6721 .5221 .0133  .0167  .0113  .0080 -.0013  .0032  .0011
O20   .4415 .5823 .5691 .0102  .0068  .0170  .0053  .0027  .0020  .0005
O21   .6202 .9211 .4880 .0117  .0071  .0202  .0077  .0019  .0030  .0041
O22   .5104 .4833 .2283 .0090  .0091  .0132  .0048  .0027  .0035  .0015
O23   .0061 .4718 .9095 .0111  .0076  .0191  .0071  .0015  .0037  .0033
O24   .6387 .1586 .2269 .0123  .0081  .0226  .0069  .0017  .0041  .0020
O25   .9184 .9009 .2890 .0126  .0084  .0238  .0058 -.0002  .0038  .0008
O26   .3691 .8119 .7961 .0246  .0400  .0156  .0109  .0023  .0069  .0009
O27   .2546 .5951 .0794 .0116  .0082  .0215  .0072  .0021  .0050  .0031
O28  -.0197 .8278 .0486 .0147  .0185  .0145  .0078  .0017  .0039  .0018
O29   .5648 .3121 .1580 .0294  .0515  .0122  .0098 .00002  .0040  .0002
O30   .5512 .1576 .8302 .0121  .0088  .0213  .0069  .0030  .0040  .0031
O31   .9345 .1458 .1147 .0115  .0072  .0189  .0073  .0011  .0030  .0005
O32   .1291 .2338 .3465 .0149  .0210  .0137  .0075  .0010  .0048  .0020
O33   .3350 .2411 .7636 .0147  .0188  .0139  .0075  .0008  .0034  .0015
O34   .6954 .3979 .3891 .0131  .0168  .0114  .0074  .0024  .0029  .0012
O35   .8578 .7466 .7707 .0293  .0529  .0144  .0114  .0024  .0085  .0015
O36   .2440 .3223 .5641 .0286  .0486  .0153  .0110 -.0003  .0062  .0013
O37   .3054 .4811 .8030 .0107  .0072  .0179  .0072  .0017  .0034  .0034
O38   .7356 .2591 .5308 .0255  .0425  .0159  .0104  .0017  .0068  .0028
O39   .7159 .6769 .3867 .0250  .0382  .0154  .0134  .0030  .0065  .0005
O40   .8613 .3459 .7909 .0308  .0524  .0158  .0137 -.0010  .0083  .0006
O41   .1827 .7579 .3724 .0282  .0499  .0127  .0105  .0007  .0058  .0023
O42   .4596 .3970 .9764 .0130  .0178  .0119  .0071 -.0004  .0044  .0008
O43   .7371 .0651 .6034 .0262  .0335  .0195  .0220 -.0021  .0113 -.0004
O44   .2711 .0419 .5207 .0376  .0567  .0259  .0246  .0054  .0155  .0032
O45   .4643 .7253 .9727 .0296  .0512  .0157  .0131  .0045  .0091  .0008
O46   .1379 .3934 .2510 .0256  .0393  .0145  .0139 -.0021  .0059  .0024
H1    .9981 .2606 .0832   .05
H2    .6179 .8111 .3477   .05
H3    .5134 .3029 .0566   .05
H4    .3196 .7916 .6438   .05
H5    .8925 .7265 .9048   .05
H6    .3166 .3434 .7210   .05
H7    .6763 .2742 .3830   .05
H8    .7656 .7070 .5123   .05
H9    .6427 .6932 .2396   .05
H10   .8202 .3636 .6495   .05
H11   .1086 .7805 .2439   .05
H12   .5834 .0551 .5840   .05
H13   .7618 .1047 .5966   .05
H14   .2184 .0796 .5229   .05
H15   .2992 .0321 .6516   .05
H16   .3947 .7033 .8202   .05
H17   .0589 .3763 .0905   .05
H18   .1692 .3650 .3562   .05
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Volkovskite
Download hom/volkovskite.pdf
Rastsvetaeva R K, Andrianov V I, Genkina E A, Sokolova T N, Kashaev A A
 
Kristallografiya 37 (1992) 326-333
Crystal structure of volkovskite KCa4B22O32(OH)10Cl*4H2O from Nepkii deposit (E. Siberia)
Locality: Eastern Siberia
_database_code_amcsd 0014191
6.50 23.96 6.62 95.68 119.6 90.59 P1
atom      x     y     z Biso
K     .0227 .0230 .0367 3.58
Ca1   .8140 .1653 .6591 2.70
Ca2   .7182 .5818 .3904 2.53
Ca3   .4972 .9070 .0221 2.60
Ca4   .1926 .4890 .3451 2.48
B1     .042 .6116  .082  2.5
B2     .991 .8903  .108  2.5
B3     .303 .5999  .903  2.5
B4     .395 .9171  .427  2.4
B5     .767 .4715  .840  2.4
B6     .401 .1609  .155  2.5
B7     .241 .2651  .562  3.3
B8     .709 .1544  .058  2.5
B9     .221 .6127  .508  2.5
B10    .164 .7010  .331  3.1
B11    .573 .3701  .172  3.0
B12    .081 .4806  .748  2.5
B13    .872 .8044  .820  3.2
B14    .497 .4596  .006  2.6
B15    .138 .1719  .336  2.8
B16    .612 .5905  .803  2.4
B17    .840 .2894  .748  3.0
B18    .317 .1791  .763  2.6
B19    .813 .8979  .686  2.7
B20    .456 .7827  .983  3.1
B21    .678 .4582  .433  2.6
B22    .081 .9106  .519  2.3
O1     .139 .1532  .539  2.5
O2     .818 .9152  .905  2.6
O3     .036 .9164  .702  2.8
O4     .042 .5874  .280  2.5
O5     .918 .4879  .523  2.6
O6     .604 .4678  .610  2.5
O7     .141 .6033  .676  2.5
O9     .838 .5891  .856  2.6
O10    .541 .5987  .969  2.6
O11    .321 .9156  .591  2.7
O12    .245 .1670  .934  2.8
O13    .036 .6730  .111  2.7
O14    .784 .8357  .639  2.9
O16    .233 .9143  .195  2.7
O17    .723 .4752  .020  2.6
O18    .352 .1559  .333  2.8
O19    .274 .6724  .523  2.9
O20    .445 .5829  .571  2.5
O21    .622 .9214  .487  2.7
O22    .512 .4837  .227  2.6
O23    .008 .4723  .908  2.5
O24    .641 .1587  .227  2.6
O25    .920 .9014  .290  2.7
O27    .254 .5960  .078  2.5
O28   -.018 .8283  .049  2.9
O30    .555 .1579  .831  2.7
O31    .936 .1462  .114  2.5
O32    .130 .2341  .347  2.8
O33    .337 .2413  .763  3.2
O34    .701 .3982  .390  2.8
O37    .307 .4812  .801  2.6
O42    .461 .3974  .976  2.8
OH8    .903 .2542  .912  3.4
OH15   .533 .8172  .183  3.4
OH26   .369 .8120  .796  3.6
OH29   .571 .3126  .159  3.9
OH35   .860 .7473  .772  4.0
OH36   .244 .3229  .565  3.9
OH38   .737 .2598  .531  3.6
OH40   .866 .3462  .791  4.0
OH41   .187 .7581  .373  4.0
OH45   .467 .7261  .973  4.2
Cl    .5288 .0224 .0627 3.46
Wat39  .717 .6778  .386  3.8
Wat43  .736 .0655  .601  3.7
Wat44  .276 .0422  .523  4.6
Wat46  .138 .3936  .249  3.8
H1     -.01  .243   .05  3.4
H2      .61  .813   .34  3.4
H3      .30  .795   .63  3.6
H4      .48  .289   .02  3.9
H5      .93  .726   .88   4.
H6      .31  .348   .71  3.9
H7      .68  .276   .40  3.6
H8      .78  .355   .65   4.
H9      .09  .777   .27   4.
H10     .39  .709   .81  4.2
H11     .78  .699   .53  3.8
H12     .65  .684   .25  3.8
H13     .58  .058   .57  3.7
H14     .68  .051   .43  3.7
H15     .22  .077   .63  4.6
H16     .33  .027   .67  4.6
H17     .21  .370   .38  3.8
H18     .05  .377   .09  3.8
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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