American Mineralogist Crystal Structure Database

1 matching records for this search.

Ba Cu Hg0.67 O4.66 Sr V0.33
 
Knizek K, Malo S, Michel C, Hervieu M, Maignan A, Raveau B
Physica C 277 (1997) 119-132
The 1201 superconductors Hg(1-y) (V O4)(y) (Ba, Sr)2 Cu O(4-2y+delta):
evidence for VO4 tetrahedra
_cod_database_code 1001819
_database_code_amcsd 0015081
3.8523 3.8523 9.077 90 90 90 P4/mmm
atom    x    y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Hg1     0    0     0  .67  .0201  .0201  .0086      0      0      0
V1   .100    0     0 .083
Ba1    .5   .5 .2932   .5  .0084  .0084  .0161      0      0      0
Sr1    .5   .5 .2932   .5  .0084  .0084  .0161      0      0      0
Cu1     0    0    .5       .0053  .0053   .012      0      0      0
O1     .5    0    .5        .005   .012   .015      0      0      0
O2      0    0  .216        .033   .033   .056      0      0      0
O3   .364 .364     0 .165
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