Material Specification for Y:123; [Y(Ca)-Ba(La)-Cu-O]
Process: Solid State Reaction
Notes: "High-purity Y2O3, CaCO3, BaCO3, La2O3 and CuO were used to prepare... samples... The intimately ground powders were heated at 940 °C for 12 h in air, reground, and reheated at 940 °C for 12 h in flowing oxygen, and slowly cooled (20 h) to ambient temperature."
Formula: Y1-xCaxBa2-xLaxCu3O7-y
Informal Name: Y:123
Chemical Family: Y(Ca)-Ba(La)-Cu-O
Chemical Class: Oxide
Structure Type: Polycrystalline
Manufacturer: In House
Commercial Name: In House
Production Date:
Lot Number:
Production Form:
Crystallography for Y:123; [Y(Ca)-Ba(La)-Cu-O]
Crystal System: | |
Formula Units per Cell: | |
Space Group: |
|
Cell Parameters
y of Cay (formula units) |
Occupancy () |
Temp
K
|
a
Å
|
b
Å
|
c
Å
|
0.05 |
-- |
296 |
3.827(1) |
3.881(1) |
11.672(3) |
0.10 |
-- |
296 |
3.828(1) |
3.878(1) |
11.670(3) |
0.20 |
-- |
296 |
3.833(1) |
3.873(1) |
11.658(3) |
0.30 |
-- |
296 |
3.839(1) |
3.863(1) |
11.656(3) |
0.40 |
-- |
296 |
3.852(1) |
-- |
11.653(3) |
0.50 |
-- |
296 |
3.854(1) |
-- |
11.646(3) |
0.70 |
-- |
296 |
3.858(1) |
-- |
11.637(3) |
Atomic Coordinates
y of Cay (formula units) |
Occupancy () |
Atom |
Temp
K
|
a-axis |
b-axis |
c-axis |
0.05 |
0.89(5) |
Y |
296 |
0.5 |
0.5 |
0.5 |
0.05 |
0.11(5) |
Ca |
296 |
0.5 |
0.5 |
0.5 |
0.05 |
1.90(10) |
Cu(1) |
296 |
0.5 |
0.5 |
0.1850(4) |
0.05 |
0.10(10) |
Cu(2) |
296 |
0.5 |
0.5 |
0.1850(4) |
0.05 |
1.0 |
O(1) |
296 |
0 |
0.5 |
0 |
0.05 |
2.0 |
O(2) |
296 |
0.5 |
0 |
0.3556(2) |
0.05 |
2.0 |
O(3) |
296 |
0 |
0.5 |
0.3768(4) |
0.05 |
2.0 |
O(4) |
296 |
0 |
0 |
0.1581(3) |
0.05 |
0.08(2) |
O(5) |
296 |
0.5 |
0 |
0 |
0.10 |
0.90(5) |
Y |
296 |
0.5 |
0.5 |
0.5 |
0.10 |
0.10(5) |
Ca |
296 |
0.5 |
0.5 |
0.5 |
0.10 |
1.84(10) |
Ba |
296 |
0.5 |
0.5 |
0.1853(3) |
0.10 |
0.16(10) |
La |
296 |
0.5 |
0.5 |
0.1853(3) |
0.10 |
1.0 |
Cu(1) |
296 |
0 |
0 |
0 |
0.10 |
2.0 |
Cu(2) |
296 |
0 |
0 |
0.33556(2) |
0.10 |
0.86(2) |
O(1) |
296 |
0 |
0.5 |
0 |
0.10 |
2.0 |
O(2) |
296 |
0.5 |
0 |
0.3755(4) |
0.10 |
2.0 |
O(3) |
296 |
0 |
0.5 |
0.3767(4) |
0.10 |
2.0 |
O(4) |
296 |
0 |
0 |
0.1578(3) |
0.10 |
0.08(2) |
O(5) |
296 |
0.5 |
0 |
0 |
0.20 |
0.75(5) |
Y |
296 |
0.5 |
0.5 |
0.5 |
0.20 |
0.25(5) |
Ca |
296 |
0.5 |
0.5 |
0.5 |
0.20 |
1.70(10) |
Ba |
296 |
0.5 |
0.5 |
0.1858(3) |
0.20 |
0.30(10) |
La |
296 |
0.5 |
0.5 |
0.1858(3) |
0.20 |
1.0 |
Cu(1) |
296 |
0 |
0 |
0 |
0.20 |
2.0 |
Cu(2) |
296 |
0 |
0 |
0.3563(2) |
0.20 |
0.82(3) |
O(1) |
296 |
0 |
0.5 |
0 |
0.20 |
2.0 |
O(2) |
296 |
0.5 |
0 |
0.3733(4) |
0.20 |
2.0 |
O(3) |
296 |
0 |
0.5 |
0.3767(5) |
0.20 |
2.0 |
O(4) |
296 |
0 |
0 |
0.1577(3) |
0.20 |
0.14(2) |
O(5) |
296 |
0.5 |
0 |
0 |
0.30 |
0.67(5) |
Y |
296 |
0.5 |
0.5 |
0.5 |
0.30 |
0.33(5) |
Ca |
296 |
0.5 |
0.5 |
0.5 |
0.30 |
1.72(10) |
Ba |
296 |
0.5 |
0.5 |
0.1871(3) |
0.30 |
0.28(10) |
La |
296 |
0.5 |
0.5 |
0.1871(3) |
0.30 |
1.0 |
Cu(1) |
296 |
0 |
0 |
0 |
0.30 |
2.0 |
Cu(2) |
296 |
0 |
0 |
0.3563(2) |
0.30 |
0.69(3) |
O(1) |
296 |
0 |
0.5 |
0 |
0.30 |
2.0 |
O(2) |
296 |
0 |
0 |
0.3703(5) |
0.30 |
2.0 |
O(3) |
296 |
0 |
0.5 |
0.3772(5) |
0.30 |
2.0 |
O(4) |
296 |
0 |
0 |
0.1574(3) |
0.30 |
0.28(2) |
O(5) |
296 |
0.5 |
0 |
0 |
0.4 |
0.64(5) |
Y |
296 |
0.5 |
0.5 |
0.5 |
0.4 |
0.36(5) |
Ca |
296 |
0.5 |
0.5 |
0.5 |
0.4 |
1.66(1) |
Ba |
296 |
0.5 |
0.5 |
0.1882(3) |
0.4 |
0.34(10) |
La |
296 |
0.5 |
0.5 |
0.1882(3) |
0.4 |
1.0 |
Cu(1) |
296 |
0 |
0 |
0 |
0.4 |
2.0 |
Cu(2) |
296 |
0 |
0 |
0.3564(2) |
0.4 |
0.96(8) |
O(1) |
296 |
0 |
0.5 |
0.07(1) |
0.4 |
4.0 |
O(2) |
296 |
0.5 |
0 |
0.3727(2) |
0.4 |
2.0 |
O(4) |
296 |
0 |
0 |
0.1569(3) |
0.5 |
0.70(5) |
Y |
296 |
0.5 |
0.5 |
0.5 |
0.5 |
0.30(5) |
Ca |
296 |
0.5 |
0.5 |
0.5 |
0.5 |
1.58(10) |
Ba |
296 |
0.5 |
0.5 |
0.1876(3) |
0.5 |
0.42(10) |
La |
296 |
0.5 |
0.5 |
0.1876(3) |
0.5 |
1.0 |
Cu(1) |
296 |
0 |
0 |
0 |
0.5 |
2.0 |
Cu(2) |
296 |
0 |
0 |
0.3550(2) |
0.5 |
1.04(8) |
O(1) |
296 |
0 |
0.5 |
0 |
0.5 |
4.0 |
O(2) |
296 |
0.5 |
0 |
0.3717(2) |
0.5 |
2.0 |
O(4) |
296 |
0 |
0 |
0.1572(4) |
0.7 |
0.67(5) |
Y |
296 |
0.5 |
0.5 |
0.5 |
0.7 |
0.33(5) |
Ca |
296 |
0.5 |
0.5 |
0.5 |
0.7 |
1.38(10) |
Ba |
296 |
0.5 |
0.5 |
0.1873(4) |
0.7 |
0.62(10) |
La |
296 |
0.5 |
0.5 |
0.1873(4) |
0.7 |
1.0 |
Cu(1) |
296 |
0 |
0 |
0 |
0.7 |
2.0 |
Cu(2) |
296 |
0 |
0 |
0.3542(2) |
0.7 |
1.4(1) |
O(1) |
296 |
0 |
0.5 |
0 |
0.7 |
4.0 |
O(2) |
296 |
0 |
0 |
0.3682(2) |
0.7 |
2.0 |
O(4) |
296 |
0 |
0 |
0.1590(5) |
Measurement Method: Neutron diffraction
"Time-of-flight neutron powder diffraction... data were collected... on the diffractometer POLARIS at ISIS, Rutherford Appleton Laboratory. Structure refinement was based on the Rietveld method using the Cambridge Crystallography Subroutine Library..."
Cautions: Evaluated Data
Critical Temperature for Y:123; [Y(Ca)-Ba(La)-Cu-O]
y of Cay (formula units) |
Critical Temperature (K) |
0.05 |
87 |
0.10 |
85 |
0.20 |
80 |
0.30 |
79 |
0.40 |
79 |
0.50 |
78 |
0.70 |
78 |
Measurement Method: Ac susceptibility
Cautions: Unevaluated Data
No measurement details were noted.