American Mineralogist Crystal Structure Database

3 matching records for this search.

Frolovite
Download hom/frolovite.pdf
Egorov-Tismenko Y K, Gushchina A E, Shashkin D N, Simonov M A, Belov N V
 
Doklady Akademii Nauk SSSR 202 (1972) 78-80
The crystal structure of frolovite CaB2O4(H2O)4 = Ca(B(OH)4)2
_database_code_amcsd 0012451
7.80 5.70 7.95 108.5 101.5 108.5 P-1
atom    x    y    z Biso
Ca   .238 .016 .189  .60
B1   .028 .407 .234  .84
B2   .448 .326 .712  .31
OH1  .065 .703 .299  .71
OH2  .085 .297 .067  .62
OH3  .141 .367 .385  .81
OH4  .186 .783 .832  .83
OH5  .242 .143 .682  .91
OH6  .426 .738 .162  .87
OH7  .470 .231 .528  .51
OH8  .488 .618 .810  .76
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View JMOL 3-D Structure (permalink)
 
Frolovite
Download hom/frolovite.pdf
Simonov M A, Kazanskaya E V, Egorov-Tismenko Y K, Zhelezi E P, Belov N V
 
Doklady Akademii Nauk SSSR 230 (1976) 91-94
Refinement of the crystal-structure of frolovite, Ca[B(OH)4]2
Note: T = 18 C
_database_code_amcsd 0019821
7.774 5.680 8.136 113.15 101.67 107.87 P-1
atom      x      y      z Biso  B(1,1)  B(2,2)  B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca   .23679 .01781 .18910  .73 .003806 .007751 .004189 .002389 .001150 .002973
B1    .0278  .4072  .2349  .84 .004388 .008987 .004551 .002697 .001464 .003277
B2    .4388  .3151  .7120  .76 .004071 .008538 .003930 .002620 .001464 .002668
O1    .0655  .7060  .3014  .99 .005868 .007527 .005999 .002774 .002091 .002896
O2    .0830  .2948  .0654 1.00 .005445 .009774 .004809 .002389 .002091 .002439
O3    .1418  .3711  .3841 1.10 .006608 .015727 .005430 .005472 .001412 .005335
O4    .1819  .7728  .8315 1.00 .003965 .010560 .007343 .002312 .002091 .005107
O5    .2392  .1436  .6828 1.11 .004176 .011459 .007085 .001695 .002248 .004192
O6    .4245  .7349  .1612  .90 .005075 .011796 .004654 .004316 .001516 .004345
O7    .4672  .2291  .5274  .91 .005762 .010560 .003723 .003545 .001778 .002896
O8    .4862  .6227  .8083  .92 .004864 .006965 .005740 .002466 .001725 .002287
H1     .020   .292   .688 10.1
H2     .191   .416   .078  2.9
H3     .232   .485   .415   12
H4     .793   .107   .202  3.5
H5     .183   .027   .581    3
H6     .541   .277   .929    3
H7     .498   .150   .520   13
H8     .609   .346   .204  2.7
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Frolovite
Download hom/frolovite.pdf
Simonov M A, Kazanskaya E V, Egorov-Tismenko Y K, Zhelezi E P, Belov N V
 
Doklady Akademii Nauk SSSR 230 (1976) 91-94
Refinement of the crystal-structure of frolovite, Ca[B(OH)4]2
Note: T = -140 C
_database_code_amcsd 0019822
7.745 5.667 8.102 113.24 101.54 107.92 P-1
atom      x      y      z Biso  B(1,1)  B(2,2)  B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca   .23651 .01813 .18818  .36 .001916 .003957 .001826 .003103 .000790 .000845
B1    .0287  .4076  .2353  .52 .002768 .006444 .002504 .004344 .001212 .001843
B2    .4383  .3149  .7119  .48 .002555 .005539 .002191 .003879 .000896 .001305
O1    .0660  .7080  .3016  .58 .003087 .007914 .002295 .004965 .001370 .002227
O2    .0830  .2948  .0654  .54 .002875 .005992 .002608 .003956 .000896 .001613
O3    .1433  .3739  .3859  .60 .003194 .006896 .003651 .004267 .001686 .000998
O4    .1820  .7724  .8306  .56 .002981 .005766 .002556 .005973 .001159 .002073
O5    .2384  .1414  .6825  .61 .003247 .005426 .003077 .005198 .000685 .001613
O6    .4243  .7353  .1606  .51 .002715 .005992 .003077 .003646 .001475 .001075
O7    .4675  .2288  .5267  .51 .002715 .006670 .002869 .003103 .001370 .001382
O8    .4858  .6236  .8092  .53 .002821 .005879 .001982 .004810 .001001 .001305
H1     .020   .292   .688 10.1
H2     .191   .416   .078  2.9
H3     .232   .485   .415   12
H4     .793   .107   .202  3.5
H5     .183   .027   .581    3
H6     .541   .277   .929    3
H7     .498   .150   .520   13
H8     .609   .346   .204  2.7
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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