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TbSi2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing TbSi12 cuboctahedra. All Tb–Si bond lengths are 3.09 Å. Si is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Si atoms. All Si–Si bond lengths are 2.37 Å.
TbSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb4+ is bonded in a 7-coordinate geometry to seven equivalent Si4- atoms. There are a spread of Tb–Si bond distances ranging from 2.96–3.17 Å. Si4- is bonded in a 9-coordinate geometry to seven equivalent Tb4+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.50 Å.
Tb2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 4-coordinate geometry to four equivalent Si atoms. There are two shorter (2.88 Å) and two longer (3.04 Å) Tb–Si bond lengths. In the second Tb site, Tb is bonded in a 11-coordinate geometry to eleven Si atoms. There are a spread of Tb–Si bond distances ranging from 3.17–3.26 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to three equivalent Tb and four Si atoms. There are two shorter (2.37 Å) and two longer (2.40 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to eight Tb and one Si atom. The Si–Si bond length is 2.30 Å. In the third Si site, Si is bonded in a 7-coordinate geometry to four equivalent Tb and three Si atoms.
Tb3Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to four equivalent Si atoms. There are two shorter (3.15 Å) and two longer (3.36 Å) Tb–Si bond lengths. Si is bonded to twelve equivalent Tb atoms to form a mixture of face and corner-sharing SiTb12 cuboctahedra.
Tb2Si3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Tb–Si bond distances ranging from 2.98–3.13 Å. In the second Tb site, Tb is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Tb–Si bond distances ranging from 2.93–3.11 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Tb and three Si atoms. There are one shorter (2.33 Å) and two longer (2.39 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 8-coordinate geometry to six Tb and two equivalent Si atoms. In the third Si site, Si is bonded in a 7-coordinate geometry to six Tb and one Si atom.
TbSi2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing TbSi12 cuboctahedra. There are eight shorter (3.08 Å) and four longer (3.14 Å) Tb–Si bond lengths. Si is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Si atoms. There are two shorter (2.35 Å) and one longer (2.40 Å) Si–Si bond lengths.
Tb2Si3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tb is bonded in a 9-coordinate geometry to nine Si atoms. There are three shorter (3.02 Å) and six longer (3.07 Å) Tb–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Si atoms. All Si–Si bond lengths are 2.30 Å. In the second Si site, Si is bonded to six equivalent Tb atoms to form distorted edge-sharing SiTb6 pentagonal pyramids. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Si atoms.
Tb4Si7 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to nine Si+1.71- atoms. There are a spread of Tb–Si bond distances ranging from 2.93–3.32 Å. In the second Tb3+ site, Tb3+ is bonded to twelve Si+1.71- atoms to form a mixture of face and edge-sharing TbSi12 cuboctahedra. There are a spread of Tb–Si bond distances ranging from 3.04–3.27 Å. In the third Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to nine Si+1.71- atoms. There are a spread of Tb–Si bond distances ranging from 2.93–3.31 Å. In the fourth Tb3+ site, Tb3+ is bonded to twelve Si+1.71- atoms to form a mixture of face and edge-sharing TbSi12 cuboctahedra. There are a spread of Tb–Si bond distances ranging from 3.04–3.27 Å. There are seven inequivalent Si+1.71- sites. In the first Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to six Tb3+ and three Si+1.71- atoms. There are a spread of Si–Si bond distances ranging from 2.34–2.40 Å. In the second Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to six Tb3+ and three Si+1.71- atoms. There are one shorter (2.34 Å) and one longer (2.41 Å) Si–Si bond lengths. In the third Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to six Tb3+ and three Si+1.71- atoms. There are one shorter (2.37 Å) and one longer (2.40 Å) Si–Si bond lengths. In the fourth Si+1.71- site, Si+1.71- is bonded in a 8-coordinate geometry to six Tb3+ and two Si+1.71- atoms. In the fifth Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to six Tb3+ and three Si+1.71- atoms. Both Si–Si bond lengths are 2.33 Å. In the sixth Si+1.71- site, Si+1.71- is bonded in a 8-coordinate geometry to six Tb3+ and two Si+1.71- atoms. The Si–Si bond length is 2.47 Å. In the seventh Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to six Tb3+ and three Si+1.71- atoms. The Si–Si bond length is 2.33 Å.
Tb5Si4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Tb+3.20+ sites. In the first Tb+3.20+ site, Tb+3.20+ is bonded to six Si4- atoms to form a mixture of distorted edge, face, and corner-sharing TbSi6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 39–40°. There are a spread of Tb–Si bond distances ranging from 2.87–3.04 Å. In the second Tb+3.20+ site, Tb+3.20+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Tb–Si bond distances ranging from 3.05–3.69 Å. In the third Tb+3.20+ site, Tb+3.20+ is bonded to six Si4- atoms to form a mixture of face and corner-sharing TbSi6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Tb–Si bond distances ranging from 2.92–3.31 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to eight Tb+3.20+ and one Si4- atom. The Si–Si bond length is 2.52 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to eight Tb+3.20+ and one Si4- atom. The Si–Si bond length is 2.52 Å. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to eight Tb+3.20+ and one Si4- atom.