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LaAs is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All La–As bond lengths are 3.24 Å. As3- is bonded in a body-centered cubic geometry to eight equivalent La3+ atoms.
LaAs2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine As+1.50- atoms. There are a spread of La–As bond distances ranging from 3.08–3.33 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine As+1.50- atoms. There are a spread of La–As bond distances ranging from 3.09–3.28 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine As+1.50- atoms. There are a spread of La–As bond distances ranging from 3.08–3.24 Å. In the fourth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine As+1.50- atoms. There are a spread of La–As bond distances ranging from 3.07–3.32 Å. There are eight inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded in a 6-coordinate geometry to four La3+ and two As+1.50- atoms. There are one shorter (2.50 Å) and one longer (2.54 Å) As–As bond lengths. In the second As+1.50- site, As+1.50- is bonded to five La3+ and one As+1.50- atom to form a mixture of distorted edge, face, and corner-sharing AsLa5As octahedra. The corner-sharing octahedra tilt angles range from 39–47°. In the third As+1.50- site, As+1.50- is bonded to five La3+ and one As+1.50- atom to form a mixture of distorted edge, face, and corner-sharing AsLa5As octahedra. The corner-sharing octahedra tilt angles range from 39–50°. In the fourth As+1.50- site, As+1.50- is bonded in a 6-coordinate geometry to four La3+ and two As+1.50- atoms. There are one shorter (2.51 Å) and one longer (2.57 Å) As–As bond lengths. In the fifth As+1.50- site, As+1.50- is bonded in a 6-coordinate geometry to four La3+ and two As+1.50- atoms. The As–As bond length is 2.60 Å. In the sixth As+1.50- site, As+1.50- is bonded in a 6-coordinate geometry to four La3+ and two As+1.50- atoms. The As–As bond length is 2.50 Å. In the seventh As+1.50- site, As+1.50- is bonded in a 6-coordinate geometry to five La3+ and one As+1.50- atom. In the eighth As+1.50- site, As+1.50- is bonded in a 6-coordinate geometry to five La3+ and one As+1.50- atom.
LaAs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La3+ is bonded to six equivalent As3- atoms to form a mixture of corner and edge-sharing LaAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All La–As bond lengths are 3.10 Å. As3- is bonded to six equivalent La3+ atoms to form a mixture of corner and edge-sharing AsLa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
La4As3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. La+2.25+ is bonded to six equivalent As3- atoms to form a mixture of distorted edge, face, and corner-sharing LaAs6 octahedra. The corner-sharing octahedra tilt angles range from 20–48°. There are three shorter (3.05 Å) and three longer (3.34 Å) La–As bond lengths. As3- is bonded in a 8-coordinate geometry to eight equivalent La+2.25+ atoms.
LaAs2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine As+1.50- atoms. There are a spread of La–As bond distances ranging from 3.07–3.29 Å. There are two inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded in a 6-coordinate geometry to four equivalent La3+ and two As+1.50- atoms. There are one shorter (2.51 Å) and one longer (2.55 Å) As–As bond lengths. In the second As+1.50- site, As+1.50- is bonded to five equivalent La3+ and one As+1.50- atom to form a mixture of distorted edge and corner-sharing AsLa5As pentagonal pyramids.