Melanite
Quartieri S, Boscherini F, Chaboy J, Dalconi M C, Oberti R, Zanetti A
Physics and Chemistry of Minerals 29 (2002) 495-502
Characterization of trace Nd and Ce site preference and coordination in natural
melanites: a combined X-ray diffraction and high-energy XAFS study
Sample: A204
_database_code_amcsd 0008658
12.124 12.124 12.124 90 90 90 Ia-3d
atom     x     y     z   occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
CaX    1/8     0   .25 .9707  .75  .0009  .0015  .0015      0      0  .0004
NaX    1/8     0   .25 .0083  .75  .0009  .0015  .0015      0      0  .0004
ZrX    1/8     0   .25 .0130  .75  .0009  .0015  .0015      0      0  .0004
SrX    1/8     0   .25 .0003  .75  .0009  .0015  .0015      0      0  .0004
YX     1/8     0   .25 .0023  .75  .0009  .0015  .0015      0      0  .0004
CeX    1/8     0   .25 .0010  .75  .0009  .0015  .0015      0      0  .0004
NdX    1/8     0   .25 .0010  .75  .0009  .0015  .0015      0      0  .0004
SmX    1/8     0   .25 .0003  .75  .0009  .0015  .0015      0      0  .0004
GdX    1/8     0   .25 .0003  .75  .0009  .0015  .0015      0      0  .0004
DyX    1/8     0   .25 .0003  .75  .0009  .0015  .0015      0      0  .0004
AlY      0     0     0 .1400  .55  .0009  .0009  .0009      0      0      0
FeY      0     0     0 .6680  .55  .0009  .0009  .0009      0      0      0
MnY      0     0     0 .0095  .55  .0009  .0009  .0009      0      0      0
MgY      0     0     0 .0730  .55  .0009  .0009  .0009      0      0      0
SiZ    3/8     0   .25 .7790  .50  .0007  .0009  .0009      0      0      0
TiZ    3/8     0   .25 .2963  .50  .0007  .0009  .0009      0      0      0
O    .0377 .0481 .6536        .96  .0020  .0015  .0014 -.0003  .0004 -.0001