MgNd2Cr2O8 is Esseneite-like structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(6), and one O(7) atom. In the second Cr site, Cr(2) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(5), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Nd(1), one Nd(2), and one Cr(2) atom. In the second O site, O(2) is bonded to one Mg(1), one Nd(1), one Nd(2), and one Cr(1) atom to form distorted corner-sharing ONd2MgCr trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Nd(1), one Nd(2), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Nd(1), one Nd(2), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Nd(1), one Nd(2), and one Cr(1) atom. In the eighth O site, O(8) is bonded to one Mg(1), one Nd(1), one Nd(2), and one Cr(2) atom to form distorted corner-sharing ONd2MgCr trigonal pyramids.
MgNd2Cr2O8 is Esseneite-like structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom. The Mg(1)-O(1) bond length is 2.15 Å. The Mg(1)-O(2) bond length is 2.00 Å. The Mg(1)-O(4) bond length is 2.23 Å. The Mg(1)-O(6) bond length is 2.09 Å. The Mg(1)-O(7) bond length is 2.51 Å. The Mg(1)-O(8) bond length is 2.00 Å. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. The Nd(1)-O(1) bond length is 2.70 Å. The Nd(1)-O(2) bond length is 2.58 Å. The Nd(1)-O(3) bond length is 2.34 Å. The Nd(1)-O(4) bond length is 2.57 Å. The Nd(1)-O(5) bond length is 2.47 Å. The Nd(1)-O(6) bond length is 2.52 Å. The Nd(1)-O(7) bond length is 2.41 Å. The Nd(1)-O(8) bond length is 2.46 Å. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. The Nd(2)-O(1) bond length is 2.49 Å. The Nd(2)-O(2) bond length is 2.47 Å. The Nd(2)-O(3) bond length is 2.46 Å. The Nd(2)-O(4) bond length is 2.46 Å. The Nd(2)-O(5) bond length is 2.36 Å. The Nd(2)-O(6) bond length is 2.69 Å. The Nd(2)-O(7) bond length is 2.54 Å. The Nd(2)-O(8) bond length is 2.56 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(6), and one O(7) atom. The Cr(1)-O(2) bond length is 1.86 Å. The Cr(1)-O(3) bond length is 1.76 Å. The Cr(1)-O(6) bond length is 1.79 Å. The Cr(1)-O(7) bond length is 1.82 Å. In the second Cr site, Cr(2) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(5), and one O(8) atom. The Cr(2)-O(1) bond length is 1.78 Å. The Cr(2)-O(4) bond length is 1.84 Å. The Cr(2)-O(5) bond length is 1.76 Å. The Cr(2)-O(8) bond length is 1.86 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Nd(1), one Nd(2), and one Cr(2) atom. In the second O site, O(2) is bonded to one Mg(1), one Nd(1), one Nd(2), and one Cr(1) atom to form distorted corner-sharing ONd2MgCr trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Nd(1), one Nd(2), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Nd(1), one Nd(2), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Nd(1), one Nd(2), and one Cr(1) atom. In the eighth O site, O(8) is bonded to one Mg(1), one Nd(1), one Nd(2), and one Cr(2) atom to form distorted corner-sharing ONd2MgCr trigonal pyramids.