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Materials Data on UIr3 by Materials Project

UIr3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U is bonded to twelve equivalent Ir atoms to form a mixture of face and corner-sharing UIr12 cuboctahedra. All U–Ir bond lengths are 2.86 Å. Ir is bonded in a distorted square co-planar geometry to four equivalent U atoms.

36 MATERIALS SCIENCE↗

Materials Data on UIr2 by Materials Project

UIr2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to twelve equivalent Ir atoms. All U–Ir bond lengths are 3.12 Å. Ir is bonded to six equivalent U and six equivalent Ir atoms to form a mixture of edge, face, and corner-sharing IrU6Ir6 cuboctahedra. All Ir–Ir bond lengths are 2.66 Å.

36 MATERIALS SCIENCE↗

Materials Data on UIr by Materials Project

UIr crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent U sites. In the first U site, U is bonded in a 7-coordinate geometry to seven Ir atoms. There are a spread of U–Ir bond distances ranging from 2.77–3.06 Å. In the second U site, U is bonded in a 5-coordinate geometry to seven Ir atoms. There are a spread of U–Ir bond distances ranging from 2.79–3.27 Å. In the third U site, U is bonded in a 7-coordinate geometry to seven Ir atoms. There are a spread of U–Ir bond distances ranging from 2.77–3.05 Å. In the fourth U site, U is bonded in a 5-coordinate geometry to seven Ir atoms. There are a spread of U–Ir bond distances ranging from 2.80–3.26 Å. There are four inequivalent Ir sites. In the first Ir site, Ir is bonded in a 7-coordinate geometry to seven U and two Ir atoms. There are one shorter (3.08 Å) and one longer (3.18 Å) Ir–Ir bond lengths. In the second Ir site, Ir is bonded in a 5-coordinate geometry to seven U and three Ir atoms. There are one shorter (2.98 Å) and one longer (3.07 Å) Ir–Ir bond lengths. In the third Ir site, Ir is bonded in a 7-coordinate geometry to seven U and two Ir atoms. The Ir–Ir bond length is 3.20 Å. In the fourth Ir site, Ir is bonded in a 5-coordinate geometry to seven U and three Ir atoms.

36 MATERIALS SCIENCE↗

Materials Data on UIr by Materials Project

UIr crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent U sites. In the first U site, U is bonded in a 8-coordinate geometry to three U and five Ir atoms. There are a spread of U–U bond distances ranging from 2.59–2.78 Å. There are a spread of U–Ir bond distances ranging from 2.65–3.00 Å. In the second U site, U is bonded in a 1-coordinate geometry to one U and seven Ir atoms. The U–U bond length is 2.64 Å. There are a spread of U–Ir bond distances ranging from 2.69–3.10 Å. In the third U site, U is bonded in a 5-coordinate geometry to three U and two Ir atoms. The U–U bond length is 2.47 Å. There are one shorter (2.93 Å) and one longer (2.95 Å) U–Ir bond lengths. In the fourth U site, U is bonded in a 3-coordinate geometry to two U and one Ir atom. The U–Ir bond length is 3.12 Å. There are four inequivalent Ir sites. In the first Ir site, Ir is bonded in a 1-coordinate geometry to three U and seven Ir atoms. There are a spread of Ir–Ir bond distances ranging from 2.68–2.95 Å. In the second Ir site, Ir is bonded in a 10-coordinate geometry to three U and seven Ir atoms. There are a spread of Ir–Ir bond distances ranging from 2.65–2.77 Å. In the third Ir site, Ir is bonded in a 11-coordinate geometry to four U and seven Ir atoms. There are one shorter (2.65 Å) and one longer (2.82 Å) Ir–Ir bond lengths. In the fourth Ir site, Ir is bonded in a 1-coordinate geometry to five U and five Ir atoms.

36 MATERIALS SCIENCE↗

Materials Data on UIr by Materials Project

UIr crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent U sites. In the first U site, U is bonded in a 7-coordinate geometry to seven Ir atoms. There are a spread of U–Ir bond distances ranging from 2.79–3.06 Å. In the second U site, U is bonded in a 5-coordinate geometry to six Ir atoms. There are a spread of U–Ir bond distances ranging from 2.80–3.18 Å. In the third U site, U is bonded in a 7-coordinate geometry to seven Ir atoms. There are a spread of U–Ir bond distances ranging from 2.81–3.05 Å. In the fourth U site, U is bonded in a 5-coordinate geometry to seven Ir atoms. There are a spread of U–Ir bond distances ranging from 2.81–3.23 Å. There are four inequivalent Ir sites. In the first Ir site, Ir is bonded in a 7-coordinate geometry to seven U atoms. In the second Ir site, Ir is bonded in a 5-coordinate geometry to six U atoms. In the third Ir site, Ir is bonded in a 7-coordinate geometry to seven U atoms. In the fourth Ir site, Ir is bonded in a 5-coordinate geometry to seven U atoms.

36 MATERIALS SCIENCE↗