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Materials Data on NdBr3 by Materials Project

NdBr3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two NdBr3 sheets oriented in the (0, 1, 0) direction. Nd3+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Nd–Br bond distances ranging from 2.92–3.18 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd3+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Nd3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on NdBr2 by Materials Project

NdBr2 is trigonal omega-like structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two NdBr2 sheets oriented in the (0, 0, 1) direction. Nd2+ is bonded to six Br1- atoms to form edge-sharing NdBr6 octahedra. There are a spread of Nd–Br bond distances ranging from 2.98–3.00 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted T-shaped geometry to three equivalent Nd2+ atoms. In the second Br1- site, Br1- is bonded in a distorted T-shaped geometry to three equivalent Nd2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Nd3Br by Materials Project

Nd3Br crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded in a distorted see-saw-like geometry to four equivalent Br atoms. There are two shorter (3.46 Å) and two longer (3.59 Å) Nd–Br bond lengths. Br is bonded to twelve equivalent Nd atoms to form a mixture of corner and face-sharing BrNd12 cuboctahedra.

36 MATERIALS SCIENCE↗