Material Specification for Y:123; [Y-Ba-Cu-O]
Process: Solid State Reaction
Notes: "A large powder sample (about 20 g)... was prepared from Y2O3, BaCO3,
and CuO powders... This material was mixed, ground, pressed into pellets, fired at 940 °C for 24 h in flowing O2, cooled to room temperature, reground, screened (200 mesh), and mixed and fired a second time at 960 °C in flowing O2. The temperature was then reduced to 680 °C for an additional 24 h, and finally the specimen was cooled to room temperature at a rate of approximately 50 °C/h."
Formula: YBa2Cu3O7-x
Informal Name: Y:123
Chemical Family: Y-Ba-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-Ba-Cu-O]
| Crystal System: | Orthorhombic |
| Formula Units per Cell: | |
| Space Group: |
Pmmm
|
Cell Parameters
| Occupancy () |
Temp
K
|
a
Å
|
b
Å
|
c
Å
|
| -- |
10 |
3.81196(3) |
3.88130(4) |
11.6403(1) |
| -- |
30 |
3.81197(4) |
3.88123(6) |
11.6405(2) |
| -- |
50 |
3.81198(3) |
3.88131(4) |
11.6406(1) |
| -- |
60 |
3.81208(4) |
3.88128(6) |
11.6412(2) |
| -- |
70 |
3.81210(4) |
3.88136(6) |
11.6422(2) |
| -- |
80 |
3.81227(3) |
3.88140(4) |
11.6430(1) |
| -- |
90 |
3.81239(4) |
3.88140(6) |
11.6444(2) |
| -- |
100 |
3.81257(3) |
3.88151(4) |
11.6458(1) |
| -- |
110 |
3.81281(4) |
3.88166(6) |
11.6474(2) |
| -- |
120 |
3.81301(4) |
3.88184(5) |
11.6489(2) |
| -- |
130 |
3.81336(4) |
3.88180(5) |
11.6507(2) |
| -- |
140 |
3.81358(4) |
3.88196(5) |
11.6527(2) |
| -- |
150 |
3.81386(3) |
3.88213(4) |
11.6540(1) |
| -- |
200 |
3.81560(3) |
3.88314(4) |
11.6641(1) |
| -- |
250 |
3.81737(3) |
3.88439(4) |
11.6741(1) |
| -- |
295 |
3.81921(3) |
3.88594(4) |
11.6841(1) |
Atomic Coordinates
| Occupancy () |
Atom |
Temp
K
|
a-axis |
b-axis |
c-axis |
| 1.0 |
Y |
296 |
0.5 |
0.5 |
0.5 |
| 2.0 |
Ba |
10 |
0.5 |
0.5 |
0.18392 |
| 2.0 |
Ba |
295 |
0.5 |
0.5 |
0.18327 |
| 1.0 |
Cu(1) |
296 |
0 |
0 |
0 |
| 2.0 |
Cu(2) |
10 |
0 |
0 |
0.35457(8) |
| 2.0 |
Cu(2) |
295 |
0 |
0 |
0.35499(8) |
| 0.917(10) |
O(1) |
10 |
0 |
0.5 |
0 |
| 0.910(10) |
O(1) |
295 |
0 |
0.5 |
0 |
| 2.0 |
O(2) |
10 |
0.5 |
0 |
0.37823 |
| 2.0 |
O(2) |
295 |
0.5 |
0 |
0.37847 |
| 2.0 |
O(3) |
10 |
0 |
0.5 |
0.37813 |
| 2.0 |
O(3) |
295 |
0 |
0.5 |
0.37829 |
| 2.035(15) |
O(4) |
10 |
0 |
0 |
0.15976 |
| 2.069(14) |
O(4) |
295 |
0 |
0 |
0.15907 |
| 0.032(6) |
O(5) |
10 |
0.5 |
0 |
0 |
| 0.043(6) |
O(5) |
295 |
0.5 |
0 |
0 |
Measurement Method: Neutron diffraction
"Time-of-flight neutron powder diffraction data were collected using the 2θ=150 °C detectors of the special environmental powder diffractometer... at Argonne's intense pulsed neutron surce... The powder sample was sealed in a thin-walled vanadium can with helium exchange gas to ensure homogeneous cooling... using a closed-cycle helium... refrigerator. The neutron powder diffraction data were analyzed with the Rietveld technique..."
Cautions: Evaluated Data
