Ohkawa M, Yoshiasa A, Takeno S
American Mineralogist 77 (1992) 945-953
Crystal chemistry of vesuvianite: Site preferences of square-pyramidal
coordinated sites
sample #1 from Sauland
_database_code_amcsd 0001537
15.517 15.517 11.781 90 90 90 *P4/nnc
.25 .25 .25
atom x y z occ
Ca1 .75 .25 .25
Ca2 -.1891 .0443 .3795
Ca3 -.1015 -.1802 .8882
CaC .75 .75 .1428 .5
CuB .75 .75 .0543 .26
MgB .75 .75 .0543 .24
Mg -.1124 .1211 .1265 .14
Al -.1124 .1211 .1265 .86
AlA 0 0 0
Si1 .75 .25 0
Si2 -.1810 .0406 .8709
Si3 -.0831 -.1508 .3648
O1 -.2189 .1726 .0858
O2 -.1168 .1593 .2784
O3 -.0489 .2215 .0767
O4 -.0619 .1065 .4707
O5 -.1701 .0153 .1780
O6 -.1189 -.2716 .0586
O7 .0561 .1733 .3212
O8 -.0606 -.0908 .0663
O9 -.1447 -.1447 .25
OH10 .75 .75 .8676 .42
F10 .75 .75 .8676 .58
OH11 -.0046 .0625 .1362 .47
F11 -.0046 .0625 .1362 .53
sample #2 from Sanpo
_database_code_amcsd 0001538
15.606 15.606 11.825 90 90 90 *P4/nnc
Ca1 -.25 .25 .25
Ca2 -.1890 .0437 .3795
Ca3 -.0986 -.1785 .8855
CaC .75 .75 .1355 .5
FeB .75 .75 .0564 .5
Al -.1118 .1205 .1270 .81
Fe -.1118 .1205 .1270 .19
Si2 -.1808 .0402 .8715
Si3 -.0830 -.1507 .3643
O1 -.2207 .1727 .0854
O2 -.1169 .1602 .2801
O3 -.0487 .2224 .0755
O4 -.0614 .1060 .4699
O5 -.1705 .0145 .1794
O6 -.1180 -.2712 .0598
O7 .0561 .1745 .3221
O8 -.0609 -.0904 .0666
O9 -.1443 -.1443 .25
F10 .75 .75 .8515
OH11 -.0040 .0618 .1357
sample #3 from Jinmu
_database_code_amcsd 0001539
15.583 15.583 11.801 90 90 90 *P4/nnc
Ca2 -.1893 .0441 .3795
Ca3 -.1003 -.1796 .8884
CaC .75 .75 .1410 .5
FeB .75 .75 .0555 .5
Al -.1123 .1209 .1267 .87
Fe -.1123 .1209 .1267 .13
Si2 -.1806 .0407 .8711
Si3 -.0827 -.1506 .3645
O1 -.2200 .1728 .0862
O2 -.1175 .1598 .2792
O3 -.0481 .2219 .0762
O4 -.0619 .1064 .4699
O5 -.1703 .0150 .1794
O6 -.1179 -.2720 .0583
O7 .0557 .1726 .3206
O8 -.0608 -.0906 .0664
OH10 .75 .75 .8625 .09
F10 .75 .75 .8625 .91
OH11 -.0035 .0616 .1360 .46
F11 -.0035 .0616 .1360 .54
sample #4 from Chichibu
_database_code_amcsd 0001540
15.546 15.546 11.828 90 90 90 *P4/nnc
Ca2 -.1892 .0449 .3794
Ca3 -.1013 -.1821 .8907
CaC .75 .75 .1494 .5
MgB .75 .75 .0365 .26
FeB .75 .75 .0365 .24
Al -.1123 .1211 .1258 .97
Fe -.1123 .1211 .1258 .03
Si2 -.1807 .0417 .8714
Si3 -.0839 -.1507 .3645
O1 -.2205 .1727 .0848
O2 -.1173 .1603 .2797
O3 -.0472 .2225 .0755
O4 -.0614 .1056 .4696
O5 -.1710 .0133 .1778
O6 -.1220 -.2734 .0573
O7 .0551 .1705 .3205
O8 -.0604 -.0909 .0671
OH10 .75 .75 .8657
OH11 -.0035 .0609 .1363
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Total number of retrieved datasets: 4 View in amc, download in amc
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