GaFeO3 crystallizes in the triclinic P1 space group. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(9) atom. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(12), one O(4), one O(6), and one O(7) atom. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(13), one O(15), one O(18), one O(8), and one O(9) atom. In the fourth Fe site, Fe(4) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(16), one O(17), and one O(7) atom. In the fifth Fe site, Fe(5) is bonded in a 4-coordinate geometry to one O(13), one O(14), one O(15), one O(19), and one O(21) atom. In the sixth Fe site, Fe(6) is bonded in a 5-coordinate geometry to one O(1), one O(15), one O(18), one O(21), and one O(23) atom. In the seventh Fe site, Fe(7) is bonded in a 4-coordinate geometry to one O(16), one O(18), one O(19), one O(22), one O(23), and one O(24) atom. In the eighth Fe site, Fe(8) is bonded in a 5-coordinate geometry to one O(1), one O(20), one O(21), one O(3), and one O(6) atom. There are eight inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 5-coordinate geometry to one O(19), one O(22), one O(24), one O(4), and one O(5) atom. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one O(23), one O(3), and one O(8) atom. In the third Ga site, Ga(3) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(24), one O(4), and one O(7) atom. In the fourth Ga site, Ga(4) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(3), one O(6), and one O(9) atom. In the fifth Ga site, Ga(5) is bonded in a single-bond geometry to one O(10), one O(14), and one O(5) atom. In the sixth Ga site, Ga(6) is bonded in a single-bond geometry to one O(11), one O(15), and one O(20) atom. In the seventh Ga site, Ga(7) is bonded in a 5-coordinate geometry to one O(12), one O(14), one O(16), one O(19), and one O(22) atom. In the eighth Ga site, Ga(8) is bonded in a single-bond geometry to one O(17), one O(2), and one O(22) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(6), and one Fe(8) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Fe(1), one Ga(3), and one Ga(8) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(8), one Ga(2), and one Ga(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(2), one Ga(1), and one Ga(3) atom. In the fifth O site, O(5) is bonded in an L-shaped geometry to one Ga(1) and one Ga(5) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one Fe(8), and one Ga(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one Fe(4), and one Ga(3) atom. In the eighth O site, O(8) is bonded in an L-shaped geometry to one Fe(3) and one Ga(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one Ga(4) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Fe(2), one Fe(4), one Ga(3), and one Ga(5) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Fe(2), one Ga(4), and one Ga(6) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(4), and one Ga(7) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Fe(3), one Fe(5), and one Ga(4) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Fe(5), one Ga(5), and one Ga(7) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one Fe(3), one Fe(5), one Fe(6), and one Ga(6) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Fe(4), one Fe(7), and one Ga(7) atom. In the seventeenth O site, O(17) is bonded in an L-shaped geometry to one Fe(4) and one Ga(8) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Fe(3), one Fe(6), and one Fe(7) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Fe(5), one Fe(7), one Ga(1), and one Ga(7) atom. In the twentieth O site, O(20) is bonded in an L-shaped geometry to one Fe(8) and one Ga(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Fe(5), one Fe(6), and one Fe(8) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one Fe(7), one Ga(1), one Ga(7), and one Ga(8) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Fe(6), one Fe(7), and one Ga(2) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Fe(7), one Ga(1), and one Ga(3) atom.
GaFeO3 crystallizes in the triclinic P1 space group. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(9) atom. The Fe(1)-O(1) bond length is 2.13 Å. The Fe(1)-O(2) bond length is 2.18 Å. The Fe(1)-O(3) bond length is 2.02 Å. The Fe(1)-O(6) bond length is 2.68 Å. The Fe(1)-O(7) bond length is 2.61 Å. The Fe(1)-O(9) bond length is 2.25 Å. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(12), one O(4), one O(6), and one O(7) atom. The Fe(2)-O(10) bond length is 2.02 Å. The Fe(2)-O(11) bond length is 2.20 Å. The Fe(2)-O(12) bond length is 2.11 Å. The Fe(2)-O(4) bond length is 2.23 Å. The Fe(2)-O(6) bond length is 2.64 Å. The Fe(2)-O(7) bond length is 2.66 Å. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(13), one O(15), one O(18), one O(8), and one O(9) atom. The Fe(3)-O(13) bond length is 2.12 Å. The Fe(3)-O(15) bond length is 2.42 Å. The Fe(3)-O(18) bond length is 2.48 Å. The Fe(3)-O(8) bond length is 2.07 Å. The Fe(3)-O(9) bond length is 2.11 Å. In the fourth Fe site, Fe(4) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(16), one O(17), and one O(7) atom. The Fe(4)-O(10) bond length is 2.43 Å. The Fe(4)-O(12) bond length is 2.11 Å. The Fe(4)-O(16) bond length is 2.12 Å. The Fe(4)-O(17) bond length is 2.07 Å. The Fe(4)-O(7) bond length is 2.49 Å. In the fifth Fe site, Fe(5) is bonded in a 4-coordinate geometry to one O(13), one O(14), one O(15), one O(19), and one O(21) atom. The Fe(5)-O(13) bond length is 2.09 Å. The Fe(5)-O(14) bond length is 2.20 Å. The Fe(5)-O(15) bond length is 2.02 Å. The Fe(5)-O(19) bond length is 2.64 Å. The Fe(5)-O(21) bond length is 2.25 Å. In the sixth Fe site, Fe(6) is bonded in a 5-coordinate geometry to one O(1), one O(15), one O(18), one O(21), and one O(23) atom. The Fe(6)-O(1) bond length is 2.19 Å. The Fe(6)-O(15) bond length is 2.30 Å. The Fe(6)-O(18) bond length is 2.24 Å. The Fe(6)-O(21) bond length is 1.90 Å. The Fe(6)-O(23) bond length is 2.45 Å. In the seventh Fe site, Fe(7) is bonded in a 4-coordinate geometry to one O(16), one O(18), one O(19), one O(22), one O(23), and one O(24) atom. The Fe(7)-O(16) bond length is 2.24 Å. The Fe(7)-O(18) bond length is 2.63 Å. The Fe(7)-O(19) bond length is 2.65 Å. The Fe(7)-O(22) bond length is 2.01 Å. The Fe(7)-O(23) bond length is 2.16 Å. The Fe(7)-O(24) bond length is 2.09 Å. In the eighth Fe site, Fe(8) is bonded in a 5-coordinate geometry to one O(1), one O(20), one O(21), one O(3), and one O(6) atom. The Fe(8)-O(1) bond length is 2.12 Å. The Fe(8)-O(20) bond length is 2.08 Å. The Fe(8)-O(21) bond length is 2.11 Å. The Fe(8)-O(3) bond length is 2.43 Å. The Fe(8)-O(6) bond length is 2.46 Å. There are eight inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 5-coordinate geometry to one O(19), one O(22), one O(24), one O(4), and one O(5) atom. The Ga(1)-O(19) bond length is 2.51 Å. The Ga(1)-O(22) bond length is 2.41 Å. The Ga(1)-O(24) bond length is 2.13 Å. The Ga(1)-O(4) bond length is 2.08 Å. The Ga(1)-O(5) bond length is 2.06 Å. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one O(23), one O(3), and one O(8) atom. The Ga(2)-O(23) bond length is 2.36 Å. The Ga(2)-O(3) bond length is 1.04 Å. The Ga(2)-O(8) bond length is 2.24 Å. In the third Ga site, Ga(3) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(24), one O(4), and one O(7) atom. The Ga(3)-O(10) bond length is 2.29 Å. The Ga(3)-O(2) bond length is 2.37 Å. The Ga(3)-O(24) bond length is 2.13 Å. The Ga(3)-O(4) bond length is 1.92 Å. The Ga(3)-O(7) bond length is 2.17 Å. In the fourth Ga site, Ga(4) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(3), one O(6), and one O(9) atom. The Ga(4)-O(11) bond length is 2.36 Å. The Ga(4)-O(13) bond length is 2.14 Å. The Ga(4)-O(3) bond length is 2.29 Å. The Ga(4)-O(6) bond length is 2.18 Å. The Ga(4)-O(9) bond length is 1.91 Å. In the fifth Ga site, Ga(5) is bonded in a single-bond geometry to one O(10), one O(14), and one O(5) atom. The Ga(5)-O(10) bond length is 1.04 Å. The Ga(5)-O(14) bond length is 2.33 Å. The Ga(5)-O(5) bond length is 2.24 Å. In the sixth Ga site, Ga(6) is bonded in a single-bond geometry to one O(11), one O(15), and one O(20) atom. The Ga(6)-O(11) bond length is 2.32 Å. The Ga(6)-O(15) bond length is 1.04 Å. The Ga(6)-O(20) bond length is 2.23 Å. In the seventh Ga site, Ga(7) is bonded in a 5-coordinate geometry to one O(12), one O(14), one O(16), one O(19), and one O(22) atom. The Ga(7)-O(12) bond length is 2.13 Å. The Ga(7)-O(14) bond length is 2.36 Å. The Ga(7)-O(16) bond length is 1.91 Å. The Ga(7)-O(19) bond length is 2.19 Å. The Ga(7)-O(22) bond length is 2.28 Å. In the eighth Ga site, Ga(8) is bonded in a single-bond geometry to one O(17), one O(2), and one O(22) atom. The Ga(8)-O(17) bond length is 2.24 Å. The Ga(8)-O(2) bond length is 2.32 Å. The Ga(8)-O(22) bond length is 1.04 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(6), and one Fe(8) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Fe(1), one Ga(3), and one Ga(8) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(8), one Ga(2), and one Ga(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(2), one Ga(1), and one Ga(3) atom. In the fifth O site, O(5) is bonded in an L-shaped geometry to one Ga(1) and one Ga(5) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one Fe(8), and one Ga(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one Fe(4), and one Ga(3) atom. In the eighth O site, O(8) is bonded in an L-shaped geometry to one Fe(3) and one Ga(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one Ga(4) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Fe(2), one Fe(4), one Ga(3), and one Ga(5) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Fe(2), one Ga(4), and one Ga(6) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(4), and one Ga(7) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Fe(3), one Fe(5), and one Ga(4) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Fe(5), one Ga(5), and one Ga(7) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one Fe(3), one Fe(5), one Fe(6), and one Ga(6) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Fe(4), one Fe(7), and one Ga(7) atom. In the seventeenth O site, O(17) is bonded in an L-shaped geometry to one Fe(4) and one Ga(8) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Fe(3), one Fe(6), and one Fe(7) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Fe(5), one Fe(7), one Ga(1), and one Ga(7) atom. In the twentieth O site, O(20) is bonded in an L-shaped geometry to one Fe(8) and one Ga(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Fe(5), one Fe(6), and one Fe(8) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one Fe(7), one Ga(1), one Ga(7), and one Ga(8) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Fe(6), one Fe(7), and one Ga(2) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Fe(7), one Ga(1), and one Ga(3) atom.