Ba4Pr7BSi12N27 crystallizes in the hexagonal P-6 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to two equivalent N(2), two equivalent N(7), and four equivalent N(6) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to six equivalent N(2) and six equivalent N(3) atoms. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to two equivalent N(2), two equivalent N(4), two equivalent N(5), and two equivalent N(6) atoms. In the second Pr site, Pr(2) is bonded in a 6-coordinate geometry to one N(3), one N(4), two equivalent N(1), and two equivalent N(6) atoms. In the third Pr site, Pr(3) is bonded in a distorted trigonal planar geometry to three equivalent N(5) atoms. B(1) is bonded in a trigonal planar geometry to three equivalent N(4) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent N(2) and two equivalent N(3) atoms to form corner-sharing SiN4 tetrahedra. In the second Si site, Si(2) is bonded to two equivalent N(6) and two equivalent N(7) atoms to form corner-sharing SiN4 tetrahedra. In the third Si site, Si(3) is bonded to one N(1), one N(5), and two equivalent N(2) atoms to form corner-sharing SiN4 tetrahedra. In the fourth Si site, Si(4) is bonded to one N(1), one N(5), and two equivalent N(6) atoms to form corner-sharing SiN4 tetrahedra. There are seven inequivalent N sites. In the first N site, N(5) is bonded in a 5-coordinate geometry to one Pr(3), two equivalent Pr(1), one Si(3), and one Si(4) atom. In the second N site, N(6) is bonded in a distorted linear geometry to two equivalent Ba(1), one Pr(1), one Pr(2), one Si(2), and one Si(4) atom. In the third N site, N(7) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1) and two equivalent Si(2) atoms. In the fourth N site, N(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Pr(2), one Si(3), and one Si(4) atom. In the fifth N site, N(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Pr(1), one Si(1), and one Si(3) atom. In the sixth N site, N(3) is bonded in a 3-coordinate geometry to two equivalent Ba(2), one Pr(2), and two equivalent Si(1) atoms. In the seventh N site, N(4) is bonded in a 4-coordinate geometry to one Pr(2), two equivalent Pr(1), and one B(1) atom.
Ba4Pr7BSi12N27 crystallizes in the hexagonal P-6 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to two equivalent N(2), two equivalent N(7), and four equivalent N(6) atoms. Both Ba(1)-N(2) bond lengths are 3.16 Å. Both Ba(1)-N(7) bond lengths are 2.93 Å. There are two shorter (3.05 Å) and two longer (3.22 Å) Ba(1)-N(6) bond lengths. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to six equivalent N(2) and six equivalent N(3) atoms. All Ba(2)-N(2) bond lengths are 3.22 Å. All Ba(2)-N(3) bond lengths are 3.20 Å. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to two equivalent N(2), two equivalent N(4), two equivalent N(5), and two equivalent N(6) atoms. Both Pr(1)-N(2) bond lengths are 2.55 Å. There is one shorter (2.47 Å) and one longer (2.54 Å) Pr(1)-N(4) bond length. Both Pr(1)-N(5) bond lengths are 2.78 Å. Both Pr(1)-N(6) bond lengths are 2.61 Å. In the second Pr site, Pr(2) is bonded in a 6-coordinate geometry to one N(3), one N(4), two equivalent N(1), and two equivalent N(6) atoms. The Pr(2)-N(3) bond length is 2.51 Å. The Pr(2)-N(4) bond length is 2.37 Å. Both Pr(2)-N(1) bond lengths are 2.80 Å. Both Pr(2)-N(6) bond lengths are 2.60 Å. In the third Pr site, Pr(3) is bonded in a distorted trigonal planar geometry to three equivalent N(5) atoms. All Pr(3)-N(5) bond lengths are 2.45 Å. B(1) is bonded in a trigonal planar geometry to three equivalent N(4) atoms. All B(1)-N(4) bond lengths are 1.47 Å. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent N(2) and two equivalent N(3) atoms to form corner-sharing SiN4 tetrahedra. Both Si(1)-N(2) bond lengths are 1.74 Å. There is one shorter (1.71 Å) and one longer (1.76 Å) Si(1)-N(3) bond length. In the second Si site, Si(2) is bonded to two equivalent N(6) and two equivalent N(7) atoms to form corner-sharing SiN4 tetrahedra. Both Si(2)-N(6) bond lengths are 1.74 Å. There is one shorter (1.71 Å) and one longer (1.72 Å) Si(2)-N(7) bond length. In the third Si site, Si(3) is bonded to one N(1), one N(5), and two equivalent N(2) atoms to form corner-sharing SiN4 tetrahedra. The Si(3)-N(1) bond length is 1.74 Å. The Si(3)-N(5) bond length is 1.79 Å. Both Si(3)-N(2) bond lengths are 1.72 Å. In the fourth Si site, Si(4) is bonded to one N(1), one N(5), and two equivalent N(6) atoms to form corner-sharing SiN4 tetrahedra. The Si(4)-N(1) bond length is 1.74 Å. The Si(4)-N(5) bond length is 1.77 Å. Both Si(4)-N(6) bond lengths are 1.72 Å. There are seven inequivalent N sites. In the first N site, N(5) is bonded in a 5-coordinate geometry to one Pr(3), two equivalent Pr(1), one Si(3), and one Si(4) atom. In the second N site, N(6) is bonded in a distorted linear geometry to two equivalent Ba(1), one Pr(1), one Pr(2), one Si(2), and one Si(4) atom. In the third N site, N(7) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1) and two equivalent Si(2) atoms. In the fourth N site, N(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Pr(2), one Si(3), and one Si(4) atom. In the fifth N site, N(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Pr(1), one Si(1), and one Si(3) atom. In the sixth N site, N(3) is bonded in a 3-coordinate geometry to two equivalent Ba(2), one Pr(2), and two equivalent Si(1) atoms. In the seventh N site, N(4) is bonded in a 4-coordinate geometry to one Pr(2), two equivalent Pr(1), and one B(1) atom.