CaNd3Cr4O16 is Zircon-derived structured and crystallizes in the tetragonal P-4m2 space group. Ca(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(4) atoms. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cr site, Cr(2) is bonded in a tetrahedral geometry to four equivalent O(3) atoms. In the third Cr site, Cr(3) is bonded in a tetrahedral geometry to four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Nd(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Nd(2), and one Cr(3) atom.
CaNd3Cr4O16 is Zircon-derived structured and crystallizes in the tetragonal P-4m2 space group. Ca(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(4) atoms. All Ca(1)-O(2) bond lengths are 2.42 Å. All Ca(1)-O(4) bond lengths are 2.55 Å. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. All Nd(1)-O(1) bond lengths are 2.43 Å. All Nd(1)-O(3) bond lengths are 2.51 Å. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both Nd(2)-O(1) bond lengths are 2.50 Å. Both Nd(2)-O(2) bond lengths are 2.50 Å. Both Nd(2)-O(3) bond lengths are 2.42 Å. Both Nd(2)-O(4) bond lengths are 2.47 Å. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Cr(1)-O(1) bond lengths are 1.74 Å. Both Cr(1)-O(2) bond lengths are 1.72 Å. In the second Cr site, Cr(2) is bonded in a tetrahedral geometry to four equivalent O(3) atoms. All Cr(2)-O(3) bond lengths are 1.72 Å. In the third Cr site, Cr(3) is bonded in a tetrahedral geometry to four equivalent O(4) atoms. All Cr(3)-O(4) bond lengths are 1.66 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Nd(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Nd(2), and one Cr(3) atom.