American Mineralogist Crystal Structure Database

1 matching records for this search.

Nagashimalite
Download hom/nagashimalite.pdf
Matsubara S
Download mj/vol10/MJ10_131.pdf
Mineralogical Journal 10 (1980) 131-142
The crystal structure of nagashimalite, Ba4(V(3+),Ti)4[(O,OH)2|Cl|Si8B2O27]
Locality: Mogurazawa mine, Kirya City, Gumma Prefecture, Japan
_database_code_amcsd 0014423
13.937 12.122 7.116 90 90 90 *Pmmn
-.25 -.25 0
atom     x      y     z occ Biso B(1,1) B(2,2) B(3,3)  B(1,2)   B(1,3)  B(2,3)
Ba1    .25    .75 .2392     1.02 .00118 .00109 .00741       0        0       0
Ba2    .25    .25 .4730     2.98 .00231 .00331 .02563       0        0       0
Ba3  .4755    .25 .0060      .81 .00115 .00109 .00447       0  -.00018       0
V    .4995  .1281 .5204 .86  .43 .00058 .00073 .00200 -.00014  -.00027  .00020
Ti1  .4995  .1281 .5204 .14  .43 .00058 .00073 .00200 -.00014  -.00027  .00020
Si1  .3665  .0117 .2056      .38 .00052 .00064 .00187 -.00005  -.00011  .00010
Si2  .6444  .0256 .2074      .36 .00052 .00060 .00160 -.00001   .00001 -.00008
B    .3418    .75 .7201      .28
O1     .25 -.0045 .2229      .89 .00053 .00186 .00585       0        0  .00086
O2     .75  .9798 .2679      .73 .00052 .00140 .00475       0        0  .00148
O3   .5761    .25 .4109      .65 .00098 .00079 .00356       0   .00043       0
O4   .5706    .75 .3585 .78  .81 .00061 .00241 .00267       0  -.00016       0
OH4  .5706    .75 .3585 .22  .81 .00061 .00241 .00267       0  -.00016       0
O5   .6099  .9610 .0182      .74 .00125 .00113 .00290 -.00029   .00038 -.00014
O6   .4029  .1211 .3120      .65 .00131 .00060 .00287 -.00012  -.00069 -.00020
O7   .4101  .8929 .2629      .60 .00104 .00079 .00258  .00011  -.00071  .00027
O8   .6479  .1544 .1489      .52 .00099 .00059 .00223 -.00005  -.00020  .00019
O9   .5726  .0050 .3776      .58 .00091 .00099 .00216 -.00007   .00063 -.00004
O10    .25    .75 .6235      .67 .00077 .00191 .00142       0        0       0
Cl1    .25    .25 .9858     1.80 .00129 .00271 .01386       0        0       0
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