Ludwigite (Mg₂FeBO₅)

Unit cell

Lattice constants

a = 9.241 Å, b = 12.295 Å, c = 3.021 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

343.3 ų

Atoms in the conventional cell

36 (Mg 8, B 4, Fe 4, O 20)

Formula units Z

4

Pearson symbol

oP36 — orthorhombic, primitive lattice, 36 atoms per conventional cell

Symmetry operations

8 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 36 atoms drawn above are these sites multiplied by all 8 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

ABC2D5_oP36_55_g_g_adh_3g2h-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP36, then the space-group number 55, then the Wyckoff letters occupied by each element in turn (Mg: 2a; Mg: 2d; B: 4g; Fe: 4g; O: 4g; O: 4g; O: 4g; Mg: 4h; O: 4h; O: 4h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Cu₂AlBO₅, Cu₂GaBO₅, Co₂AlBO₅, Co₂SnBO₅, Co₃BO₅, Fe₃BO₅, Mg₂InBO₅, Mg₂MnBO₅, Mn₂CoBO₅, Ni₂CrBO₅, Ni₂FeBO₅ (bonaccordite), Ni₂SnBO₅, Ni₂VBO₅ <!--beginning with an

Note: Ludwigite.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry ABC2D5_oP36_55_g_g_adh_3g2h-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.