American Mineralogist Crystal Structure Database

2 matching records for this search.

Hashemite
Download hom/hashemite.pdf
Duesler E N, Foord E E
Download am/vol71/AM71_1217.pdf
American Mineralogist 71 (1986) 1217-1220
Crystal structure of hashemite, BaCrO4, a barite structure type
Locality: from a stone quarry 60 km southeast of Amman, west-central Jordan
_database_code_amcsd 0001046
9.1028 5.5276 7.3314 90 90 90 Pnma
atom      x     y       z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba   .81690   .75 -.15551      .0242  .0348  .0259      0 -.0003      0
Cr   .44225   .75  .19404  .9  .0245  .0275  .0240      0  .0004      0
S    .44225   .75  .19404  .1  .0245  .0275  .0240      0  .0004      0
O1    .6099   .75   .1146       .031   .056   .048      0   .013      0
O2    .3185   .75   .0330       .043   .048   .032      0  -.009      0
O3    .4180 .5078   .3231       .031   .028   .034  .0000  -.001   .002
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zimbabweite
Download hom/zimbabweite.pdf
Duesler E N, Chakoumakos B C, Foord E E
Download am/vol73/AM73_1186.pdf
American Mineralogist 73 (1988) 1186-1190
Zimbabweite, Na(Pb,Na,K)2As4(Ta,Nb,Ti)4O18, an arsenite-tantalate with a
novel corner-linked octahedral sheet
_database_code_amcsd 0001200
12.245 15.287 8.684 90 90 90 *Ccmb
.25 .25 0
atom      x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ta1  .81379 .37712 .30173  .75  .0105  .0102  .0092  .0003  .0003  .0006
Nb1  .81379 .37712 .30173 .125  .0105  .0102  .0092  .0003  .0003  .0006
Ti1  .81379 .37712 .30173 .125  .0105  .0102  .0092  .0003  .0003  .0006
Pb2   .4504    .25  .8793   .5  .0137  .0224  .0245      0      0  .0076
K2    .4504    .25  .8793  .25  .0137  .0224  .0245      0      0  .0076
Na2   .4504    .25  .8793  .25  .0137  .0224  .0245      0      0  .0076
Na3     .75    .25      0       .0024  .0029  .0047      0      0  .0015
As    .5855 .42180  .0686       .0118  .0139  .0138  .0004  .0001  .0003
O1    .6669  .3660   .205       .0028  .0021  .0010  .0002  .0000  .0005
O2    .1188  .3535   .586       .0017  .0032  .0010  .0000 -.0001  .0001
O3    .9639  .3642   .386       .0022  .0015  .0020  .0002 -.0001  .0004
O4     .805    .25   .326       .0020  .0012  .0028      0      0  .0000
O5     .826     .5    .25       .0015  .0030  .0013      0  .0001      0
O6      .75   .395     .5       .0022  .0021  .0003      0      0 -.0001
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: 2
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