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Materials Data on NaIn3 by Materials Project

NaIn3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to twelve equivalent In atoms to form a mixture of face and corner-sharing NaIn12 cuboctahedra. There are six shorter (3.33 Å) and six longer (3.40 Å) Na–In bond lengths. In is bonded to four equivalent Na atoms to form a mixture of distorted edge, face, and corner-sharing InNa4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on NaIn3 by Materials Project

NaIn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to twelve equivalent In atoms to form a mixture of face and corner-sharing NaIn12 cuboctahedra. All Na–In bond lengths are 3.35 Å. In is bonded in a distorted square co-planar geometry to four equivalent Na atoms.

36 MATERIALS SCIENCE↗

Materials Data on K(NaIn3)3 by Materials Project

K(NaIn3)3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. K is bonded in a 7-coordinate geometry to nine In atoms. There are a spread of K–In bond distances ranging from 3.64–4.08 Å. There are two inequivalent Na sites. In the first Na site, Na is bonded in a 1-coordinate geometry to nine In atoms. There are a spread of Na–In bond distances ranging from 3.14–3.57 Å. In the second Na site, Na is bonded in a 4-coordinate geometry to eight In atoms. There are a spread of Na–In bond distances ranging from 3.24–3.81 Å. There are seven inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to four Na and six In atoms. There are a spread of In–In bond distances ranging from 3.05–3.22 Å. In the second In site, In is bonded in a 2-coordinate geometry to four Na and four In atoms. There are two shorter (3.02 Å) and one longer (3.05 Å) In–In bond lengths. In the third In site, In is bonded in a 10-coordinate geometry to four equivalent Na and six In atoms. There are a spread of In–In bond distances ranging from 3.00–3.17 Å. In the fourth In site, In is bonded in a 10-coordinate geometry to one K, three Na, and six In atoms. There are a spread of In–In bond distances ranging from 3.05–3.22 Å. In the fifth In site, In is bonded in a 10-coordinate geometry to two equivalent K, two Na, and six In atoms. There are one shorter (2.97 Å) and one longer (3.08 Å) In–In bond lengths. In the sixth In site, In is bonded in a 7-coordinate geometry to one K, two equivalent Na, and four In atoms. In the seventh In site, In is bonded in a 2-coordinate geometry to two equivalent K, two equivalent Na, and four In atoms.

36 MATERIALS SCIENCE↗

Materials Data on NaIn3 by Materials Project

NaIn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na is bonded to twelve In atoms to form NaIn12 cuboctahedra that share corners with four equivalent NaIn12 cuboctahedra, edges with eight equivalent NaIn12 cuboctahedra, edges with sixteen equivalent InNa4In8 cuboctahedra, faces with four equivalent NaIn12 cuboctahedra, and faces with eight equivalent InNa4In8 cuboctahedra. There are four shorter (3.31 Å) and eight longer (3.37 Å) Na–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Na and eight In atoms to form distorted InNa4In8 cuboctahedra that share corners with twelve equivalent InNa4In8 cuboctahedra, edges with eight equivalent NaIn12 cuboctahedra, edges with eight equivalent InNa4In8 cuboctahedra, faces with four equivalent NaIn12 cuboctahedra, and faces with ten equivalent InNa4In8 cuboctahedra. There are four shorter (3.31 Å) and four longer (3.37 Å) In–In bond lengths. In the second In site, In is bonded in a distorted square co-planar geometry to four equivalent Na and eight equivalent In atoms.

36 MATERIALS SCIENCE↗