BaSiC is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to two equivalent Si(2), three equivalent Si(1), and four equivalent C(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to two equivalent Si(1), three equivalent Si(2), and four equivalent C(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 2-coordinate geometry to two equivalent Ba(2), three equivalent Ba(1), and two equivalent C(1) atoms. In the second Si site, Si(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), three equivalent Ba(2), and two equivalent C(1) atoms. C(1) is bonded in a 7-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Si(1), one Si(2), and one C(1) atom.
BaSiC is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to two equivalent Si(2), three equivalent Si(1), and four equivalent C(1) atoms. There is one shorter (3.45 Å) and one longer (3.46 Å) Ba(1)-Si(2) bond length. There are two shorter (3.33 Å) and one longer (3.41 Å) Ba(1)-Si(1) bond length. There are two shorter (3.29 Å) and two longer (3.43 Å) Ba(1)-C(1) bond lengths. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to two equivalent Si(1), three equivalent Si(2), and four equivalent C(1) atoms. There is one shorter (3.30 Å) and one longer (3.48 Å) Ba(2)-Si(1) bond length. There is one shorter (3.20 Å) and two longer (3.28 Å) Ba(2)-Si(2) bond lengths. There are two shorter (2.95 Å) and two longer (3.18 Å) Ba(2)-C(1) bond lengths. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 2-coordinate geometry to two equivalent Ba(2), three equivalent Ba(1), and two equivalent C(1) atoms. Both Si(1)-C(1) bond lengths are 2.01 Å. In the second Si site, Si(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), three equivalent Ba(2), and two equivalent C(1) atoms. Both Si(2)-C(1) bond lengths are 2.00 Å. C(1) is bonded in a 7-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Si(1), one Si(2), and one C(1) atom. The C(1)-C(1) bond length is 1.50 Å.