Material Specification for Tl:221; [Tl-Ba-Cu-O]
Process: Solid State Reaction
Notes: "Powder samples in the Tl-Ba-Cu-O and Bi-Sr-Cu-O systems were prepared by heating at 850-950°C for 1-6 h mixtures of high-purity oxides (BaO2, Tl2O3, SrO2, and CuO, respectively) in sealed gold tubes for Tl (Ba) composition and open gold crucibles for Bi (Sr) composition. Single crystals of Tl2Ba2CuO6 were synthesized in sealed gold tubes by heating the reactants in the molar ratio 2:2:2 (Tl:Ba:Cu) to provide a coppper-rich melt. Similarly, single crystals of superconducting Bi2Sr2CuO6 were grown from an off-stoichiometric 2:3:3 (Bi:Sr:Cu) mixture."
Formula: Tl2Ba2CuO6
Informal Name: Tl:221
Chemical Family: Tl-Ba-Cu-O
Chemical Class: Oxide
Structure Type: Single Crystal
Manufacturer: In House
Commercial Name: In House
Production Date:
Lot Number:
Production Form:
Density (mass) for Tl:221; [Tl-Ba-Cu-O]
Measurement Method: X-ray diffraction
"The structures... have been solved and refined from single-crystal x-ray diffraction data."
Diffractometer: CAD4
Radiation: MoKα
Monochromator: Graphite
2θ range: 0° - 60° for Tl:221
0° - 55° for Bi:221
Cautions: Evaluated Data
Crystallography for Tl:221; [Tl-Ba-Cu-O]
| Crystal System: | Tetragonal |
| Formula Units per Cell: | |
| Space Group: |
I4/mmm
|
Cell Parameters
|
Temp
K
|
a
Å
|
b
Å
|
c
Å
|
| 296 |
3.866(1) |
-- |
23.239(6) |
Atomic Coordinates
| Atom |
Temp
K
|
a-axis |
b-axis |
c-axis |
| Tl(1) |
296 |
0.50 |
0.50 |
0.20265(2) |
| Ba(1) |
296 |
0.00 |
0.00 |
0.08301(3) |
| Cu(1) |
296 |
0.50 |
0.50 |
0.00 |
| O(1) |
296 |
0.00 |
0.50 |
0.00 |
| O(2) |
296 |
0.50 |
0.50 |
0.1168(4) |
| O(3) |
296 |
0.595(5) |
0.50 |
0.2889(5) |
Measurement Method: X-ray diffraction
"The structures... have been solved and refined from single-crystal x-ray diffraction data."
Diffractometer: CAD4
Radiation: MoKα
Monochromator: Graphite
2θ range: 0° - 60° for Tl:221
0° - 55° for Bi:221
Cautions: Evaluated Data
Material Specification for Bi:221; [Bi-Sr-Cu-O]
Process: Solid State Reaction
Notes: "Powder samples in the Tl-Ba-Cu-O and Bi-Sr-Cu-O systems were prepared by heating at 850-950°C for 1-6 h mixtures of high-purity oxides (BaO2, Tl2O3, SrO2, and CuO, respectively) in sealed gold tubes for Tl (Ba) composition and open gold crucibles for Bi (Sr) composition. Single crystals of Tl2Ba2CuO6 were synthesized in sealed gold tubes by heating the reactants in the molar ratio 2:2:2 (Tl:Ba:Cu) to provide a coppper-rich melt. Similarly, single crystals of superconducting Bi2Sr2CuO6 were grown from an off-stoichiometric 2:3:3 (Bi:Sr:Cu) mixture."
Formula: Bi2Sr2CuO6
Informal Name: Bi:221
Chemical Family: Bi-Sr-Cu-O
Chemical Class: Oxide
Structure Type: Single Crystal
Manufacturer: In House
Commercial Name: In House
Production Date:
Lot Number:
Production Form:
Density (mass) for Bi:221; [Bi-Sr-Cu-O]
Measurement Method: X-ray diffraction
"The structures... have been solved and refined from single-crystal x-ray diffraction data."
Diffractometer: CAD4
Radiation: MoKα
Monochromator: Graphite
2θ range: 0° - 60° for Tl:221
0° - 55° for Bi:221
Cautions: Evaluated Data
Crystallography for Bi:221; [Bi-Sr-Cu-O]
| Crystal System: | Orthorhombic |
| Formula Units per Cell: | |
| Space Group: |
Amaa
|
Cell Parameters
|
Temp
K
|
a
Å
|
b
Å
|
c
Å
|
| 296 |
5.362(3) |
5.374(1) |
24.622(6) |
Atomic Coordinates
| Atom |
Temp
K
|
a-axis |
b-axis |
c-axis |
| Bi(1) |
296 |
0.00 |
0.2758(5) |
0.0660(2) |
| Sr(1) |
296 |
0.50 |
0.2479(9) |
0.1790(4) |
| Cu(1) |
296 |
0.50 |
0.75 |
0.25 |
| O(1) |
296 |
0.75 |
0.50 |
0.246(2) |
| O(2) |
296 |
0.00 |
0.226(12) |
0.145(4) |
| O(3) |
296 |
0.50 |
0.334(15) |
0.064(5) |
Measurement Method: X-ray diffraction
"The structures... have been solved and refined from single-crystal x-ray diffraction data."
Diffractometer: CAD4
Radiation: MoKα
Monochromator: Graphite
2θ range: 0° - 60° for Tl:221
0° - 55° for Bi:221
Cautions: Evaluated Data
