K₂BaPO₄F: ABC2D4E_tI36_140_a_c_h_l_b-001 BaFK₂O₄P

Unit cell

Lattice constants

a = 7.026 Å, b = 7.026 Å, c = 11.279 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

556.8 ų

Atoms in the conventional cell

36 (Ba 4, P 4, F 4, K 8, O 16)

Formula units Z

4

Pearson symbol

tI36 — tetragonal, body-centred lattice, 36 atoms per conventional cell

Symmetry operations

32 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 32 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

ABC2D4E_tI36_140_a_c_h_l_b-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI36, then the space-group number 140, then the Wyckoff letters occupied by each element in turn (Ba: 4a; P: 4b; F: 4c; K: 8h; O: 16l). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

(Ba, Sr)₂BaGaO₄F, (Ca, Sr)₂BaGaO₄F, Ba₂CsSnS₄Cl, Ba₂KSnS₄Cl, Ba₂NaSnS₄Cl, Ba₃InS₄Cl, Ba₃InSe₄Cl, Ho₃PN₄O, K₃SO₄F, K₃SeO₄F, Sr₃AlO₄F, Sr₃GaO₄F <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry ABC2D4E_tI36_140_a_c_h_l_b-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.