Gd2S3 is Stibnite structured and crystallizes in the monoclinic Pm space group. There are eight inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to one S(12), one S(2), one S(6), two equivalent S(4), and two equivalent S(9) atoms to form a mixture of distorted corner and edge-sharing GdS7 pentagonal bipyramids. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to one S(12), one S(3), two equivalent S(11), two equivalent S(7), and two equivalent S(9) atoms. In the third Gd site, Gd(3) is bonded to one S(1), one S(5), one S(7), two equivalent S(10), and two equivalent S(3) atoms to form a mixture of distorted corner and edge-sharing GdS7 pentagonal bipyramids. In the fourth Gd site, Gd(4) is bonded in a 8-coordinate geometry to one S(2), one S(8), two equivalent S(1), two equivalent S(4), and two equivalent S(5) atoms. In the fifth Gd site, Gd(5) is bonded to one S(1), one S(7), one S(9), two equivalent S(6), and two equivalent S(8) atoms to form a mixture of distorted corner and edge-sharing GdS7 pentagonal bipyramids. In the sixth Gd site, Gd(6) is bonded in a 8-coordinate geometry to one S(1), one S(11), two equivalent S(2), two equivalent S(3), and two equivalent S(6) atoms. In the seventh Gd site, Gd(7) is bonded in a 8-coordinate geometry to one S(4), one S(7), two equivalent S(10), two equivalent S(12), and two equivalent S(8) atoms. In the eighth Gd site, Gd(8) is bonded to one S(10), one S(12), one S(2), two equivalent S(11), and two equivalent S(5) atoms to form a mixture of distorted corner and edge-sharing GdS7 pentagonal bipyramids. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Gd(3), one Gd(5), one Gd(6), and two equivalent Gd(4) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(4), one Gd(8), and two equivalent Gd(6) atoms. In the third S site, S(3) is bonded to one Gd(2), two equivalent Gd(3), and two equivalent Gd(6) atoms to form a mixture of distorted corner and edge-sharing SGd5 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Gd(7), two equivalent Gd(1), and two equivalent Gd(4) atoms to form a mixture of distorted corner and edge-sharing SGd5 trigonal bipyramids. In the fifth S site, S(5) is bonded to one Gd(3), two equivalent Gd(4), and two equivalent Gd(8) atoms to form a mixture of corner and edge-sharing SGd5 square pyramids. In the sixth S site, S(6) is bonded to one Gd(1), two equivalent Gd(5), and two equivalent Gd(6) atoms to form a mixture of corner and edge-sharing SGd5 square pyramids. In the seventh S site, S(7) is bonded in a 5-coordinate geometry to one Gd(3), one Gd(5), one Gd(7), and two equivalent Gd(2) atoms. In the eighth S site, S(8) is bonded to one Gd(4), two equivalent Gd(5), and two equivalent Gd(7) atoms to form a mixture of distorted corner and edge-sharing SGd5 trigonal bipyramids. In the ninth S site, S(9) is bonded to one Gd(5), two equivalent Gd(1), and two equivalent Gd(2) atoms to form a mixture of corner and edge-sharing SGd5 square pyramids. In the tenth S site, S(10) is bonded to one Gd(8), two equivalent Gd(3), and two equivalent Gd(7) atoms to form a mixture of corner and edge-sharing SGd5 square pyramids. In the eleventh S site, S(11) is bonded to one Gd(6), two equivalent Gd(2), and two equivalent Gd(8) atoms to form a mixture of distorted corner and edge-sharing SGd5 trigonal bipyramids. In the twelfth S site, S(12) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(2), one Gd(8), and two equivalent Gd(7) atoms.
Gd2S3 is Stibnite structured and crystallizes in the monoclinic Pm space group. There are eight inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to one S(12), one S(2), one S(6), two equivalent S(4), and two equivalent S(9) atoms to form a mixture of distorted corner and edge-sharing GdS7 pentagonal bipyramids. The Gd(1)-S(12) bond length is 2.84 Å. The Gd(1)-S(2) bond length is 2.82 Å. The Gd(1)-S(6) bond length is 2.82 Å. Both Gd(1)-S(4) bond lengths are 2.81 Å. Both Gd(1)-S(9) bond lengths are 2.77 Å. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to one S(12), one S(3), two equivalent S(11), two equivalent S(7), and two equivalent S(9) atoms. The Gd(2)-S(12) bond length is 3.40 Å. The Gd(2)-S(3) bond length is 2.86 Å. Both Gd(2)-S(11) bond lengths are 2.86 Å. Both Gd(2)-S(7) bond lengths are 2.85 Å. Both Gd(2)-S(9) bond lengths are 2.90 Å. In the third Gd site, Gd(3) is bonded to one S(1), one S(5), one S(7), two equivalent S(10), and two equivalent S(3) atoms to form a mixture of distorted corner and edge-sharing GdS7 pentagonal bipyramids. The Gd(3)-S(1) bond length is 2.83 Å. The Gd(3)-S(5) bond length is 2.81 Å. The Gd(3)-S(7) bond length is 2.84 Å. Both Gd(3)-S(10) bond lengths are 2.77 Å. Both Gd(3)-S(3) bond lengths are 2.81 Å. In the fourth Gd site, Gd(4) is bonded in a 8-coordinate geometry to one S(2), one S(8), two equivalent S(1), two equivalent S(4), and two equivalent S(5) atoms. The Gd(4)-S(2) bond length is 3.38 Å. The Gd(4)-S(8) bond length is 2.87 Å. Both Gd(4)-S(1) bond lengths are 2.85 Å. Both Gd(4)-S(4) bond lengths are 2.87 Å. Both Gd(4)-S(5) bond lengths are 2.89 Å. In the fifth Gd site, Gd(5) is bonded to one S(1), one S(7), one S(9), two equivalent S(6), and two equivalent S(8) atoms to form a mixture of distorted corner and edge-sharing GdS7 pentagonal bipyramids. The Gd(5)-S(1) bond length is 2.82 Å. The Gd(5)-S(7) bond length is 2.83 Å. The Gd(5)-S(9) bond length is 2.82 Å. Both Gd(5)-S(6) bond lengths are 2.77 Å. Both Gd(5)-S(8) bond lengths are 2.81 Å. In the sixth Gd site, Gd(6) is bonded in a 8-coordinate geometry to one S(1), one S(11), two equivalent S(2), two equivalent S(3), and two equivalent S(6) atoms. The Gd(6)-S(1) bond length is 3.36 Å. The Gd(6)-S(11) bond length is 2.87 Å. Both Gd(6)-S(2) bond lengths are 2.85 Å. Both Gd(6)-S(3) bond lengths are 2.87 Å. Both Gd(6)-S(6) bond lengths are 2.90 Å. In the seventh Gd site, Gd(7) is bonded in a 8-coordinate geometry to one S(4), one S(7), two equivalent S(10), two equivalent S(12), and two equivalent S(8) atoms. The Gd(7)-S(4) bond length is 2.87 Å. The Gd(7)-S(7) bond length is 3.36 Å. Both Gd(7)-S(10) bond lengths are 2.89 Å. Both Gd(7)-S(12) bond lengths are 2.84 Å. Both Gd(7)-S(8) bond lengths are 2.87 Å. In the eighth Gd site, Gd(8) is bonded to one S(10), one S(12), one S(2), two equivalent S(11), and two equivalent S(5) atoms to form a mixture of distorted corner and edge-sharing GdS7 pentagonal bipyramids. The Gd(8)-S(10) bond length is 2.84 Å. The Gd(8)-S(12) bond length is 2.83 Å. The Gd(8)-S(2) bond length is 2.83 Å. Both Gd(8)-S(11) bond lengths are 2.81 Å. Both Gd(8)-S(5) bond lengths are 2.78 Å. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Gd(3), one Gd(5), one Gd(6), and two equivalent Gd(4) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(4), one Gd(8), and two equivalent Gd(6) atoms. In the third S site, S(3) is bonded to one Gd(2), two equivalent Gd(3), and two equivalent Gd(6) atoms to form a mixture of distorted corner and edge-sharing SGd5 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Gd(7), two equivalent Gd(1), and two equivalent Gd(4) atoms to form a mixture of distorted corner and edge-sharing SGd5 trigonal bipyramids. In the fifth S site, S(5) is bonded to one Gd(3), two equivalent Gd(4), and two equivalent Gd(8) atoms to form a mixture of corner and edge-sharing SGd5 square pyramids. In the sixth S site, S(6) is bonded to one Gd(1), two equivalent Gd(5), and two equivalent Gd(6) atoms to form a mixture of corner and edge-sharing SGd5 square pyramids. In the seventh S site, S(7) is bonded in a 5-coordinate geometry to one Gd(3), one Gd(5), one Gd(7), and two equivalent Gd(2) atoms. In the eighth S site, S(8) is bonded to one Gd(4), two equivalent Gd(5), and two equivalent Gd(7) atoms to form a mixture of distorted corner and edge-sharing SGd5 trigonal bipyramids. In the ninth S site, S(9) is bonded to one Gd(5), two equivalent Gd(1), and two equivalent Gd(2) atoms to form a mixture of corner and edge-sharing SGd5 square pyramids. In the tenth S site, S(10) is bonded to one Gd(8), two equivalent Gd(3), and two equivalent Gd(7) atoms to form a mixture of corner and edge-sharing SGd5 square pyramids. In the eleventh S site, S(11) is bonded to one Gd(6), two equivalent Gd(2), and two equivalent Gd(8) atoms to form a mixture of distorted corner and edge-sharing SGd5 trigonal bipyramids. In the twelfth S site, S(12) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(2), one Gd(8), and two equivalent Gd(7) atoms.