BaCaSn3 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one Sn(4), two equivalent Sn(2), two equivalent Sn(3), and four equivalent Sn(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent Sn(2), four equivalent Sn(1), and four equivalent Sn(3) atoms. Ca(1) is bonded in a 7-coordinate geometry to one Sn(2), two equivalent Sn(1), two equivalent Sn(4), and three equivalent Sn(3) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), two equivalent Ca(1), one Sn(2), one Sn(3), and one Sn(4) atom. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), two equivalent Ca(1), one Sn(2), one Sn(4), and two equivalent Sn(1) atoms. In the third Sn site, Sn(3) is bonded in a 8-coordinate geometry to one Ba(1), two equivalent Ba(2), three equivalent Ca(1), one Sn(1), and one Sn(3) atom. In the fourth Sn site, Sn(4) is bonded in a 8-coordinate geometry to one Ba(1), four equivalent Ca(1), one Sn(2), and two equivalent Sn(1) atoms.
BaCaSn3 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one Sn(4), two equivalent Sn(2), two equivalent Sn(3), and four equivalent Sn(1) atoms. The Ba(1)-Sn(4) bond length is 3.55 Å. There is one shorter (3.74 Å) and one longer (3.85 Å) Ba(1)-Sn(2) bond length. Both Ba(1)-Sn(3) bond lengths are 3.91 Å. There are two shorter (3.65 Å) and two longer (3.97 Å) Ba(1)-Sn(1) bond lengths. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent Sn(2), four equivalent Sn(1), and four equivalent Sn(3) atoms. Both Ba(2)-Sn(2) bond lengths are 3.86 Å. There are two shorter (3.57 Å) and two longer (3.75 Å) Ba(2)-Sn(1) bond lengths. There are two shorter (3.76 Å) and two longer (3.82 Å) Ba(2)-Sn(3) bond lengths. Ca(1) is bonded in a 7-coordinate geometry to one Sn(2), two equivalent Sn(1), two equivalent Sn(4), and three equivalent Sn(3) atoms. The Ca(1)-Sn(2) bond length is 3.34 Å. There is one shorter (3.63 Å) and one longer (3.74 Å) Ca(1)-Sn(1) bond length. There is one shorter (3.21 Å) and one longer (3.37 Å) Ca(1)-Sn(4) bond length. There are a spread of Ca(1)-Sn(3) bond distances ranging from 3.19-3.32 Å. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), two equivalent Ca(1), one Sn(2), one Sn(3), and one Sn(4) atom. The Sn(1)-Sn(2) bond length is 3.02 Å. The Sn(1)-Sn(3) bond length is 2.90 Å. The Sn(1)-Sn(4) bond length is 2.91 Å. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), two equivalent Ca(1), one Sn(2), one Sn(4), and two equivalent Sn(1) atoms. The Sn(2)-Sn(2) bond length is 3.26 Å. The Sn(2)-Sn(4) bond length is 3.06 Å. In the third Sn site, Sn(3) is bonded in a 8-coordinate geometry to one Ba(1), two equivalent Ba(2), three equivalent Ca(1), one Sn(1), and one Sn(3) atom. The Sn(3)-Sn(3) bond length is 3.07 Å. In the fourth Sn site, Sn(4) is bonded in a 8-coordinate geometry to one Ba(1), four equivalent Ca(1), one Sn(2), and two equivalent Sn(1) atoms.