Pr4Ru3FeAs4O4 crystallizes in the tetragonal P-4m2 space group. There are four inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 4-coordinate geometry to four equivalent As(1), two equivalent O(1), and two equivalent O(2) atoms. In the second Pr site, Pr(2) is bonded in a 4-coordinate geometry to four equivalent As(2), two equivalent O(1), and two equivalent O(2) atoms. In the third Pr site, Pr(1) is bonded in a 4-coordinate geometry to four equivalent As(1), two equivalent O(1), and two equivalent O(2) atoms. In the fourth Pr site, Pr(2) is bonded in a 4-coordinate geometry to four equivalent As(2), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1,3) is bonded to four equivalent As(2) atoms to form a mixture of distorted edge and corner-sharing RuAs4 tetrahedra. In the second Ru site, Ru(2) is bonded in a 8-coordinate geometry to four equivalent Fe(1) and four equivalent As(1) atoms. Fe(1) is bonded in a 8-coordinate geometry to four equivalent Ru(2) and four equivalent As(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent Pr(1), two equivalent Ru(2), and two equivalent Fe(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Pr(2) and four equivalent Ru(1,3) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pr(1) and two equivalent Pr(2) atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Pr(1) and two equivalent Pr(2) atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra.
Pr4Ru3FeAs4O4 crystallizes in the tetragonal P-4m2 space group. There are four inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 4-coordinate geometry to four equivalent As(1), two equivalent O(1), and two equivalent O(2) atoms. All Pr(1)-As(1) bond lengths are 3.37 Å. Both Pr(1)-O(1) bond lengths are 2.39 Å. Both Pr(1)-O(2) bond lengths are 2.37 Å. In the second Pr site, Pr(2) is bonded in a 4-coordinate geometry to four equivalent As(2), two equivalent O(1), and two equivalent O(2) atoms. All Pr(2)-As(2) bond lengths are 3.43 Å. Both Pr(2)-O(1) bond lengths are 2.37 Å. Both Pr(2)-O(2) bond lengths are 2.38 Å. In the third Pr site, Pr(1) is bonded in a 4-coordinate geometry to four equivalent As(1), two equivalent O(1), and two equivalent O(2) atoms. All Pr(1)-As(1) bond lengths are 3.37 Å. Both Pr(1)-O(1) bond lengths are 2.39 Å. Both Pr(1)-O(2) bond lengths are 2.37 Å. In the fourth Pr site, Pr(2) is bonded in a 4-coordinate geometry to four equivalent As(2), two equivalent O(1), and two equivalent O(2) atoms. All Pr(2)-As(2) bond lengths are 3.43 Å. Both Pr(2)-O(1) bond lengths are 2.37 Å. Both Pr(2)-O(2) bond lengths are 2.38 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1,3) is bonded to four equivalent As(2) atoms to form a mixture of distorted edge and corner-sharing RuAs4 tetrahedra. All Ru(1,3)-As(2) bond lengths are 2.45 Å. In the second Ru site, Ru(2) is bonded in a 8-coordinate geometry to four equivalent Fe(1) and four equivalent As(1) atoms. All Ru(2)-Fe(1) bond lengths are 2.91 Å. All Ru(2)-As(1) bond lengths are 2.54 Å. Fe(1) is bonded in a 8-coordinate geometry to four equivalent Ru(2) and four equivalent As(1) atoms. All Fe(1)-As(1) bond lengths are 2.54 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent Pr(1), two equivalent Ru(2), and two equivalent Fe(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Pr(2) and four equivalent Ru(1,3) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pr(1) and two equivalent Pr(2) atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Pr(1) and two equivalent Pr(2) atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra.