Material Specification for HgSm:1212; [Hg-Ba-Sm-Cu-O]
Process: Solid State Reaction
Notes: "The encapsulating method was used for the sample preparation... Starting materials for the synthesis were the pure metal oxides: HgO (yellow), BaO (prepared by heating BaO2 in vacuum at 1000 °C for more than 12 h), Sm2O3 (preheated in an open furnace at 900 °C), CaO (obtained from CaCO3 which was decomposed at 950 °C) and CuO (dried at 100 °C). Stoichiometric amounts of the oxides were carefully ground in a glove box filled with argon. The powder mixtures were placed in silica tubes which were then evacuated (P ≤ 10-1 Pa) and sealed. Approximately one quarter of the tube volume was filled with powder. The samples were heated (about 4 h) up to 720 °C, held at this temperature for 40 h, and cooled to room temperature."
Formula: HgBa2SmCu2O6+x
Informal Name: HgSm:1212
Chemical Family: Hg-Ba-Sm-Cu-O
Chemical Class: Oxide
Structure Type: Polycrystalline
Manufacturer: In House
Commercial Name: In House
Production Date:
Lot Number:
Production Form:
Crystallography for HgSm:1212; [Hg-Ba-Sm-Cu-O]
| Crystal System: | Tetragonal |
| Formula Units per Cell: | |
| Space Group: |
P4/mmm
|
Cell Parameters
| Occupancy () |
Temp
K
|
a
Å
|
b
Å
|
c
Å
|
| --- |
296 |
3.9002(2) |
-- |
12.5135(8) |
Atomic Coordinates
| Occupancy () |
Atom |
Temp
K
|
a-axis |
b-axis |
c-axis |
| 0.83(3) |
Hg |
296 |
0 |
0 |
0 |
| 1.0 |
Ba |
296 |
0.5 |
0.5 |
0.2069(8) |
| 1.0 |
Sm |
296 |
0.5 |
0.5 |
0.5 |
| 1.0 |
Cu |
296 |
0 |
0 |
0.365(2) |
| 1.0 |
O(1) |
296 |
0 |
0 |
0.168(6) |
| 1.0 |
O(2) |
296 |
0 |
0.5 |
0.381(4) |
| 0.5 |
O(3) |
296 |
0.5 |
0.5 |
0 |
Measurement Method: X-ray diffraction
"X-ray powder diffraction data for structure refinement were collected with a STADI-P powder diffractometer in the transmission mode, using a scintillation detector. The measurements were carried out over the 2θ range 6°-100° with a step interval of 0.02° in 2θ and a counting time of 40 s per step. ... The Rietveld refinement was made with the program RIETAN."
Cautions: Evaluated Data
Material Specification for HgSm:1212; [Hg-Ba-Sm(Ca)-Cu-O]
Process: Solid State Reaction
Notes: "The encapsulating method was used for the sample preparation... Starting materials for the synthesis were the pure metal oxides: HgO (yellow), BaO (prepared by heating BaO2 in vacuum at 1000 °C for more than 12 h), Sm2O3 (preheated in an open furnace at 900 °C), CaO (obtained from CaCO3 which was decomposed at 950 °C) and CuO (dried at 100 °C). Stoichiometric amounts of the oxides were carefully ground in a glove box filled with argon. The powder mixtures were placed in silica tubes which were then evacuated (P ≤ 10-1 Pa) and sealed. Approximately one quarter of the tube volume was filled with powder. The samples were heated (about 4 h) up to 720 °C, held at this temperature for 40 h, and cooled to room temperature."
Formula: HgBa2Sm0.5Ca0.5Cu2O6+x
Informal Name: HgSm:1212
Chemical Family: Hg-Ba-Sm(Ca)-Cu-O
Chemical Class: Oxide
Structure Type: Polycrystalline
Manufacturer: In House
Commercial Name: In House
Production Date:
Lot Number:
Production Form:
Crystallography for HgSm:1212; [Hg-Ba-Sm(Ca)-Cu-O]
| Crystal System: | Tetragonal |
| Formula Units per Cell: | |
| Space Group: |
P4/mmm
|
Cell Parameters
| Occupancy () |
Temp
K
|
a
Å
|
b
Å
|
c
Å
|
| --- |
296 |
3.8857(2) |
-- |
12.559(1) |
Atomic Coordinates
| Occupancy () |
Atom |
Temp
K
|
a-axis |
b-axis |
c-axis |
| 0.86(3) |
Hg |
296 |
0 |
0 |
0 |
| 1.0 |
Ba |
296 |
0.5 |
0.5 |
0.2144(5) |
| 0.52(2) |
Ca |
296 |
0.5 |
0.5 |
0.5 |
| 0.48(2) |
Sm |
296 |
0.5 |
0.5 |
0.5 |
| 1.0 |
Cu |
296 |
0 |
0 |
0.371(1) |
| 1.0 |
O(1) |
296 |
0 |
0 |
0.157(4) |
| 1.0 |
O(2) |
296 |
0 |
0.5 |
0.377(4) |
| 0.4 |
O(3) |
296 |
0.5 |
0.5 |
0 |
Measurement Method: X-ray diffraction
"X-ray powder diffraction data for structure refinement were collected with a STADI-P powder diffractometer in the transmission mode, using a scintillation detector. The measurements were carried out over the 2θ range 6°-100° with a step interval of 0.02° in 2θ and a counting time of 40 s per step. ... The Rietveld refinement was made with the program RIETAN."
Cautions: Evaluated Data
