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