HgBa2Ca2Cu3O8+delta Finger L W, Hazen R M, Downs R T, Meng R L, Chu C W Physica C 226 (1994) 216-221 Crystal chemistry of HgBa2CaCu2O8+d and HgBa2Ca2Cu3O8+d Single-crystal X-ray diffraction results Sample: Hg-1223 superconductor _database_code_amcsd 0015066 3.842 3.842 15.832 90 90 90 P4/mmm atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) Hg 0 0 0 .82 1.69 .02588 .02588 .00202 0 0 0 Cu 0 0 0 .18 1.69 .02588 .02588 .00202 0 0 0 Ba .5 .5 .17491 .48 .00772 .00772 .00052 0 0 0 Ca .5 .5 .39758 .27 .00397 .00397 .00033 0 0 0 Cu1 0 0 .5 .20 .00115 .00115 .00046 0 0 0 Cu2 0 0 .30068 .19 .00053 .00053 .00051 0 0 0 O1 0 .5 .5 1.32 .01690 .01690 .00196 0 0 0 O2 .5 0 .3060 .46 .00756 .00756 .00050 0 0 0 O3 0 0 .1228 1.72 .02138 .02138 .00263 0 0 0 O4 .5 .36 0 .00 .8 O5 .5 .5 0 .13 .8