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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

Setting
Loading the group…
x = 0.10, y = 0.17, z = 0.08

Unit 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

SiteElementWyckoffMultiplicityxyz
C1C4a40.49300.91720.6880
C2C4a40.43100.84690.7985
C3C4a40.25100.81980.6310
C4C4a40.06950.87120.6490
C5C4a40.15000.94140.5530
H10H4a40.02400.97200.5640
H11H4a40.22000.93900.3510
H12H4a40.60000.95400.3800
H13H4a40.53900.76700.8920
H14H4a40.17300.73700.5670
H15H4a40.87500.85200.9440
H6H4a40.62800.94200.7900
H7H4a40.37600.84700.0000
H8H4a40.30300.81100.4220
H9H4a40.95700.84300.5070
O16O4a40.56250.90990.4200
O17O4a40.60750.80190.7710
O18O4a40.19100.75450.7370
O19O4a40.99600.87810.9260
O20O4a40.32500.96320.7110

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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