American Mineralogist Crystal Structure Database

1 matching records for this search.

Probertite
Download hom/probertite.pdf
Menchetti S, Sabelli C, Trosti-Ferroni R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=38&spage=3072
Acta Crystallographica B38 (1982) 3072-3075
Probertite, CaNa[B5O7(OH)4]*3H2O: a refinement
_database_code_amcsd 0009784
6.588 12.560 13.428 90 99.97 90 P2_1/c
atom      x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca   .34825 .58776 .09502  .67 .00371 .00106 .00097  .00017  .00010 -.00005
Na   .12101 .49557 .32427 1.95 .01091 .00313 .00258 -.00141 -.00096  .00014
B1    .3383  .2414 -.0514  .93 .00333 .00160 .00166  .00012  .00008 -.00027
B2    .5012  .3576  .1030  .84 .00321 .00161 .00141  .00004  .00062  .00008
B3    .1207  .3486  .0448  .86 .00402 .00160 .00127 -.00032  .00024  .00034
B4    .8535  .4396  .1327  .83 .00304 .00161 .00137  .00005  .00022  .00010
B5    .7554  .3092  .2542  .93 .00520 .00142 .00139  .00022  .00021 -.00012
O3    .1431  .2618 -.0147  .98 .00231 .00202 .00179 -.00029  .00031 -.00051
O4    .5135  .2866  .0180  .99 .00361 .00189 .00162  .00007  .00018 -.00063
O5    .2887  .3994  .0986  .93 .00237 .00187 .00170  .00011  .00024 -.00038
O6    .6299  .4526  .0999  .74 .00263 .00121 .00141  .00000  .00024  .00007
O7    .5612  .2979  .1991 1.11 .00450 .00212 .00163 -.00073 -.00022  .00064
O8    .9254  .3805  .0490  .93 .00216 .00227 .00141 -.00002  .00020 -.00035
O9    .9003  .3738  .2267 1.04 .00409 .00216 .00143 -.00055 -.00023  .00054
O10   .7956  .2486  .3412 1.36 .00499 .00281 .00185 -.00079 -.00098  .00089
O11   .9633  .5398  .1521 1.06 .00431 .00125 .00232 -.00028  .00026 -.00011
O12   .4330  .5700  .2789 1.65 .00828 .00289 .00235  .00038  .00013  .00015
O13   .7867  .5057  .4092 2.55 .01491 .00459 .00291  .00160 -.00039 -.00045
O14   .1737  .6419  .4357 2.16 .01035 .00242 .00466 -.00081  .00163 -.00083
Oh1   .3323  .2970 -.1491 1.26 .00806 .00219 .00151  .00063  .00065 -.00017
Oh2   .3497  .1257 -.0627 1.42 .00657 .00169 .00291  .00043  .00044 -.00064
H1     .346   .256  -.199  3.6
H2     .466   .105  -.067  5.0
H3     .902   .255   .372  2.6
H4     .882   .597   .161  3.7
H5     .461   .643   .292  5.7
H6     .536   .543   .304  4.7
H7     .798   .447   .450  4.4
H8     .755   .555   .455  5.4
H9     .070   .675   .448  8.7
H10    .259   .692   .446  6.3
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 1
View in amc, download in amc

Return to AMCSD Home Page