Rossell H J, Leblanc M, Ferey G, Bevan D J M, Simpson D J, Taylor M R
Australian Journal of Chemistry 45 (1992) 1415-1425
On the crystal structure of Bi2Te4O11
Locality: synthetic
_database_code_amcsd 0012058
6.9909 7.9593 18.8963 90 95.176 90 P2_1/n
atom x y z Biso
Bi1 .5640 .1180 .4216 .87
Bi2 .5642 .1100 .9142 .90
Te1 .2768 .1605 .2460 .63
Te2 .9141 .1194 .5743 .62
Te3 .2427 .0904 .7548 .95
Te4 .8932 .1392 .0718 .67
O1 .941 .170 .4777 .8
O2 .921 .172 .9707 1.0
O3 .270 .159 .5845 1.2
O4 .275 .145 .3448 1.5
O5 .562 .025 .7635 1.9
O6 .954 .153 .7507 2.0
O7 .644 .071 .5413 1.2
O8 .348 .169 .1076 1.5
O9 .671 .020 .0365 .9
O10 .802 .104 .1908 2.7
O11 .310 .223 .8349 2.2
Rossell H J
Nature 283 (1980) 282-283
Zirconolite - a fluorite-related superstructure
Locality: Synthetic
Note polytype Zirconolite-2M
_database_code_amcsd 0014676
12.4458 7.2734 11.3942 90 100.533 90 C2/c
atom x y z occ
CaM1 .3718 .1245 .4952
ZrM2 .1225 .1222 -.0258 .93
TiM2 .1225 .1222 -.0258 .07
TiM3 .2498 .1223 .7465
TiM4 .5 .055 .25 .86
ZrM4 .5 .055 .25 .14
TiM5 0 .127 .25
O1 .310 .133 .275
O2 .470 .146 .102
O3 .197 .083 .573
O4 .403 .174 .719
O5 .702 .169 .590
O6 -.001 .111 .414
O7 .119 .055 .788
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