Nagashimalite
Matsubara S
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 )
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: 