Experimental Information Search
The Experimental Information Search (Fig. 1) enables the user to search explicitly for entries with certain ambient conditions, experimental setups and additional properties, such as structures from Rietveld refinement etc.
Figure 1: Experimental Information Search
Temperature
Temperatures are assumed to be in Kelvin (K), if no unit is given. Possible units are K (enter K after value), °C (enter C after value) and °F (enter F after value). You can enter
- a single value,
- separate values, which have to be separated by blanks,
- ranges of values indicated by "-", ">" or "<".
Examples:
Temperature | Result |
1 | ambient temperature of 1K |
270 300-415 | temperatures of 270K or a range of temperatures from 300 up to 415K |
35C | temperature of 35 °C |
>451F | temperatures of more than 451 °F |
Note: If no temperature is given by the author, a default temperature of 293K is assumed by the system!
Pressure
Pressures are by default in MegaPascals (MPa). Possible units are MPa, GPa, hPa, mbar, bar and atm. You can enter
- a single value,
- separate values, which have to be separated by blanks,
- ranges of values indicated by "-", ">" or "<".
Examples:
Pressure | Result |
1000 | pressure of 1000 MPa |
1atm | pressure of 1 atm (1013.25 hPa) |
>5bar | pressure greater than 5 bar |
0.3-45bar | pressure from 0.3 bar up to 45 bar |
Note: If no pressure is given by the author, a default pressure of 0.101325 MPa is assumed by the system!
Comments
Comments can be searched by entering keywords, separated by blanks, or by entering a complete (known) phrase.
Examples:
Comments | Result |
F-Atoms | e.g. entries with comment “After 2nd ref. (Gagarinsky) H-atoms are 0.95(3) A away from the F-atoms in direction to the next F-Atom at F-F=2.49” or „ F-atoms (AsF6) around As(4) were not determined.“ |
“F-atoms (AsF6) around As(4) were not determined.” | entries with the exact phrase |
z(C1) was misprinted as .0687 | entries with the exact phrase |
R-Value
R-Value allows searching for goodness of fit values from employed structure refinements, e.g. Rietveld refinements.
You can enter a single value or a range of values. Only values between 0.00 and 1.00 are allowed.
R-Value | Result |
0.5 | exactly an R-value of 0.5 |
<0.004 | R-values smaller than 0.004 |
0.3-0.4 | R-values from 0.3 to 0.4 |
Experimental setup
You can check one or more radiation types from the following:
- X-ray,
- electrons,
- neutrons,
- synchrotron.
You can check one or more sample types from the following:
- Powder,
- Single crystal.
You can check one or more additional properties from the following:
- Twinned Crystal Data,
- Theoretically Calculated Structures,
- Rietveld Refinement employed,
- NMR Data available,
- Anharmonic Temperature Factors given,
- Magnetic Structure available,
- Absolute Configuration determined,
- Correction of earlier work.