ZrSe is Millerite-like structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent Se(1) and three equivalent Se(2) atoms to form a mixture of distorted edge and corner-sharing ZrSe5 trigonal bipyramids. In the second Zr site, Zr(2) is bonded to two equivalent Se(2) and three equivalent Se(1) atoms to form a mixture of distorted edge and corner-sharing ZrSe5 trigonal bipyramids. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Zr(1) and three equivalent Zr(2) atoms to form a mixture of distorted edge and corner-sharing SeZr5 square pyramids. In the second Se site, Se(2) is bonded to two equivalent Zr(2) and three equivalent Zr(1) atoms to form a mixture of distorted edge and corner-sharing SeZr5 square pyramids.
ZrSe is Millerite-like structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent Se(1) and three equivalent Se(2) atoms to form a mixture of distorted edge and corner-sharing ZrSe5 trigonal bipyramids. There is one shorter (2.69 Å) and one longer (2.77 Å) Zr(1)-Se(1) bond length. There are two shorter (2.68 Å) and one longer (2.89 Å) Zr(1)-Se(2) bond length. In the second Zr site, Zr(2) is bonded to two equivalent Se(2) and three equivalent Se(1) atoms to form a mixture of distorted edge and corner-sharing ZrSe5 trigonal bipyramids. There is one shorter (2.69 Å) and one longer (2.77 Å) Zr(2)-Se(2) bond length. There are two shorter (2.68 Å) and one longer (2.89 Å) Zr(2)-Se(1) bond length. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Zr(1) and three equivalent Zr(2) atoms to form a mixture of distorted edge and corner-sharing SeZr5 square pyramids. In the second Se site, Se(2) is bonded to two equivalent Zr(2) and three equivalent Zr(1) atoms to form a mixture of distorted edge and corner-sharing SeZr5 square pyramids.