Crystal Lab › Prototype structures › Orthorhombic
β-Arabinose (CO₂H)₂₀
Orthorhombic · space group P212121 (No. 19) · Pearson oP80 · mineral: arabinose
Symmetry elements and Wyckoff positions (interactive)
β-Arabinose (CO₂H)₂₀ in P212121
SettingUnit cell
- Lattice constants
- a = 6.535 Å, b = 19.467 Å, c = 4.841 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 615.9 ų
- Atoms in the conventional cell
- 80 (C 20, H 40, O 20)
- Formula units Z
- 20
- Pearson symbol
- oP80 — orthorhombic, primitive lattice, 80 atoms per conventional cell
- Symmetry operations
- 4 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| C1 | C | 4a | 4 | 0.4930 | 0.9172 | 0.6880 |
| C2 | C | 4a | 4 | 0.4310 | 0.8469 | 0.7985 |
| C3 | C | 4a | 4 | 0.2510 | 0.8198 | 0.6310 |
| C4 | C | 4a | 4 | 0.0695 | 0.8712 | 0.6490 |
| C5 | C | 4a | 4 | 0.1500 | 0.9414 | 0.5530 |
| H10 | H | 4a | 4 | 0.0240 | 0.9720 | 0.5640 |
| H11 | H | 4a | 4 | 0.2200 | 0.9390 | 0.3510 |
| H12 | H | 4a | 4 | 0.6000 | 0.9540 | 0.3800 |
| H13 | H | 4a | 4 | 0.5390 | 0.7670 | 0.8920 |
| H14 | H | 4a | 4 | 0.1730 | 0.7370 | 0.5670 |
| H15 | H | 4a | 4 | 0.8750 | 0.8520 | 0.9440 |
| H6 | H | 4a | 4 | 0.6280 | 0.9420 | 0.7900 |
| H7 | H | 4a | 4 | 0.3760 | 0.8470 | 0.0000 |
| H8 | H | 4a | 4 | 0.3030 | 0.8110 | 0.4220 |
| H9 | H | 4a | 4 | 0.9570 | 0.8430 | 0.5070 |
| O16 | O | 4a | 4 | 0.5625 | 0.9099 | 0.4200 |
| O17 | O | 4a | 4 | 0.6075 | 0.8019 | 0.7710 |
| O18 | O | 4a | 4 | 0.1910 | 0.7545 | 0.7370 |
| O19 | O | 4a | 4 | 0.9960 | 0.8781 | 0.9260 |
| O20 | O | 4a | 4 | 0.3250 | 0.9632 | 0.7110 |
The multiplicity and the Wyckoff letter say how many copies of the site the group makes in one cell and on which kind of symmetry element the site sits; the 80 atoms drawn above are these sites multiplied by all 4 operations. Press Wyckoff under Colour to see the sites, and tick a symmetry element on the left to see which atoms lie on it.
How to read the label
AB2C_oP80_19_5a_10a_5a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP80, then the space-group number 19, then the Wyckoff letters occupied by each element in turn (C: 4a; C: 4a; C: 4a; C: 4a; C: 4a; H: 4a; H: 4a; H: 4a; H: 4a; H: 4a; H: 4a; H: 4a; H: 4a; H: 4a; H: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: \beta-Arabinose.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB2C_oP80_19_5a_10a_5a-001 (M. J. Mehl et al., Comput. Mater. Sci. 136, S1 (2017); D. Hicks et al., ibid. 161, S1 (2019) and 199, 110450 (2021); S. Eckert et al., ibid. 240, 112988 (2024)). Symmetry elements, Wyckoff assignment and the diagram are computed on this page from the group operations.
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