α-D-Glucose Monohydrate (C₆H₁₂O₆-H₂O)

Unit cell

Lattice constants

a = 8.803 Å, b = 5.085 Å, c = 9.708 Å; α = 90.00°, β = 97.67°, γ = 90.00°

Cell volume

430.7 ų

Atoms in the conventional cell

54 (C 12, H 28, O 14)

Formula units Z

2

Pearson symbol

mP54 — monoclinic, primitive lattice, 54 atoms per conventional cell

Symmetry operations

2 per cell

Crystallographic sites

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 54 atoms drawn above are these sites multiplied by all 2 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

A6B14C7_mP54_4_6a_14a_7a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP54, then the space-group number 4, then the Wyckoff letters occupied by each element in turn (C: 2a; C: 2a; C: 2a; C: 2a; C: 2a; C: 2a; H: 2a; H: 2a; H: 2a; H: 2a; H: 2a; H: 2a; H: 2a; H: 2a; H: 2a; H: 2a; H: 2a; H: 2a; H: 2a; H: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: α-D-glucose monohydrate.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A6B14C7_mP54_4_6a_14a_7a-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.