TaSb3O8 crystallizes in the triclinic P1 space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(14), one O(15), one O(29), one O(32), one O(5), and one O(7) atom to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 36-42°. In the second Ta site, Ta(2) is bonded to one O(1), one O(12), one O(18), one O(20), one O(4), and one O(9) atom to form TaO6 octahedra that share corners with four equivalent Sb(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-42°. In the third Ta site, Ta(3) is bonded to one O(14), one O(15), one O(21), one O(23), one O(29), and one O(32) atom to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 36-42°. In the fourth Ta site, Ta(4) is bonded to one O(13), one O(16), one O(22), one O(24), one O(30), and one O(31) atom to form TaO6 octahedra that share corners with four equivalent Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-42°. There are twelve inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one O(21), one O(25), one O(32), one O(5), and one O(9) atom. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one O(10), one O(22), one O(26), one O(31), and one O(6) atom. In the third Sb site, Sb(3) is bonded to one O(13), one O(16), one O(30), one O(31), one O(6), and one O(8) atom to form SbO6 octahedra that share corners with four equivalent Ta(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-42°. In the fourth Sb site, Sb(4) is bonded to one O(10), one O(11), one O(17), one O(19), one O(2), and one O(3) atom to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. In the fifth Sb site, Sb(5) is bonded in a 5-coordinate geometry to one O(12), one O(18), one O(24), one O(27), and one O(8) atom. In the sixth Sb site, Sb(6) is bonded in a 5-coordinate geometry to one O(11), one O(17), one O(23), one O(28), and one O(7) atom. In the seventh Sb site, Sb(7) is bonded in a 5-coordinate geometry to one O(15), one O(21), one O(25), one O(5), and one O(9) atom. In the eighth Sb site, Sb(8) is bonded in a 5-coordinate geometry to one O(10), one O(16), one O(22), one O(26), and one O(6) atom. In the ninth Sb site, Sb(9) is bonded to one O(1), one O(18), one O(20), one O(25), one O(27), and one O(4) atom to form SbO6 octahedra that share corners with four equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-42°. In the tenth Sb site, Sb(10) is bonded to one O(17), one O(19), one O(2), one O(26), one O(28), and one O(3) atom to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. In the eleventh Sb site, Sb(11) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(24), one O(27), and one O(8) atom. In the twelfth Sb site, Sb(12) is bonded in a 5-coordinate geometry to one O(11), one O(2), one O(23), one O(28), and one O(7) atom. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ta(2), one Sb(11), and one Sb(9) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sb(10), one Sb(12), and one Sb(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sb(10) and one Sb(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ta(2) and one Sb(9) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ta(1), one Sb(1), and one Sb(7) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Sb(2), one Sb(3), and one Sb(8) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ta(1), one Sb(12), and one Sb(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Sb(11), one Sb(3), and one Sb(5) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ta(2), one Sb(1), and one Sb(7) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Sb(2), one Sb(4), and one Sb(8) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Sb(12), one Sb(4), and one Sb(6) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ta(2), one Sb(11), and one Sb(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Ta(4) and one Sb(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Ta(1) and one Ta(3) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Ta(1), one Ta(3), and one Sb(7) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one Ta(4), one Sb(3), and one Sb(8) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Sb(10), one Sb(4), and one Sb(6) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Ta(2), one Sb(5), and one Sb(9) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Sb(10) and one Sb(4) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Ta(2) and one Sb(9) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Ta(3), one Sb(1), and one Sb(7) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Ta(4), one Sb(2), and one Sb(8) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Ta(3), one Sb(12), and one Sb(6) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Ta(4), one Sb(11), and one Sb(5) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal planar geometry to one Sb(1), one Sb(7), and one Sb(9) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Sb(10), one Sb(2), and one Sb(8) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to one Sb(11), one Sb(5), and one Sb(9) atom. In the twenty-eighth O site, O(28) is bonded in a distorted trigonal planar geometry to one Sb(10), one Sb(12), and one Sb(6) atom. In the twenty-ninth O site, O(29) is bonded in a bent 150 degrees geometry to one Ta(1) and one Ta(3) atom. In the thirtieth O site, O(30) is bonded in a bent 150 degrees geometry to one Ta(4) and one Sb(3) atom. In the thirty-first O site, O(31) is bonded in a 2-coordinate geometry to one Ta(4), one Sb(2), and one Sb(3) atom. In the thirty-second O site, O(32) is bonded in a distorted bent 150 degrees geometry to one Ta(1), one Ta(3), and one Sb(1) atom.
TaSb3O8 crystallizes in the triclinic P1 space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(14), one O(15), one O(29), one O(32), one O(5), and one O(7) atom to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 36-42°. The Ta(1)-O(14) bond length is 2.02 Å. The Ta(1)-O(15) bond length is 2.04 Å. The Ta(1)-O(29) bond length is 1.92 Å. The Ta(1)-O(32) bond length is 1.93 Å. The Ta(1)-O(5) bond length is 2.06 Å. The Ta(1)-O(7) bond length is 2.03 Å. In the second Ta site, Ta(2) is bonded to one O(1), one O(12), one O(18), one O(20), one O(4), and one O(9) atom to form TaO6 octahedra that share corners with four equivalent Sb(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-42°. The Ta(2)-O(1) bond length is 2.02 Å. The Ta(2)-O(12) bond length is 2.06 Å. The Ta(2)-O(18) bond length is 1.99 Å. The Ta(2)-O(20) bond length is 1.94 Å. The Ta(2)-O(4) bond length is 1.99 Å. The Ta(2)-O(9) bond length is 2.01 Å. In the third Ta site, Ta(3) is bonded to one O(14), one O(15), one O(21), one O(23), one O(29), and one O(32) atom to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 36-42°. The Ta(3)-O(14) bond length is 1.92 Å. The Ta(3)-O(15) bond length is 1.94 Å. The Ta(3)-O(21) bond length is 2.07 Å. The Ta(3)-O(23) bond length is 2.03 Å. The Ta(3)-O(29) bond length is 2.02 Å. The Ta(3)-O(32) bond length is 2.04 Å. In the fourth Ta site, Ta(4) is bonded to one O(13), one O(16), one O(22), one O(24), one O(30), and one O(31) atom to form TaO6 octahedra that share corners with four equivalent Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-42°. The Ta(4)-O(13) bond length is 1.94 Å. The Ta(4)-O(16) bond length is 1.99 Å. The Ta(4)-O(22) bond length is 2.06 Å. The Ta(4)-O(24) bond length is 2.02 Å. The Ta(4)-O(30) bond length is 1.99 Å. The Ta(4)-O(31) bond length is 2.03 Å. There are twelve inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one O(21), one O(25), one O(32), one O(5), and one O(9) atom. The Sb(1)-O(21) bond length is 2.21 Å. The Sb(1)-O(25) bond length is 2.06 Å. The Sb(1)-O(32) bond length is 2.71 Å. The Sb(1)-O(5) bond length is 2.05 Å. The Sb(1)-O(9) bond length is 2.27 Å. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one O(10), one O(22), one O(26), one O(31), and one O(6) atom. The Sb(2)-O(10) bond length is 2.27 Å. The Sb(2)-O(22) bond length is 2.22 Å. The Sb(2)-O(26) bond length is 2.07 Å. The Sb(2)-O(31) bond length is 2.67 Å. The Sb(2)-O(6) bond length is 2.07 Å. In the third Sb site, Sb(3) is bonded to one O(13), one O(16), one O(30), one O(31), one O(6), and one O(8) atom to form SbO6 octahedra that share corners with four equivalent Ta(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-42°. The Sb(3)-O(13) bond length is 2.00 Å. The Sb(3)-O(16) bond length is 2.00 Å. The Sb(3)-O(30) bond length is 1.97 Å. The Sb(3)-O(31) bond length is 1.98 Å. The Sb(3)-O(6) bond length is 2.07 Å. The Sb(3)-O(8) bond length is 2.03 Å. In the fourth Sb site, Sb(4) is bonded to one O(10), one O(11), one O(17), one O(19), one O(2), and one O(3) atom to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. The Sb(4)-O(10) bond length is 2.02 Å. The Sb(4)-O(11) bond length is 2.06 Å. The Sb(4)-O(17) bond length is 2.01 Å. The Sb(4)-O(19) bond length is 1.99 Å. The Sb(4)-O(2) bond length is 2.03 Å. The Sb(4)-O(3) bond length is 2.02 Å. In the fifth Sb site, Sb(5) is bonded in a 5-coordinate geometry to one O(12), one O(18), one O(24), one O(27), and one O(8) atom. The Sb(5)-O(12) bond length is 2.05 Å. The Sb(5)-O(18) bond length is 2.69 Å. The Sb(5)-O(24) bond length is 2.06 Å. The Sb(5)-O(27) bond length is 2.20 Å. The Sb(5)-O(8) bond length is 2.27 Å. In the sixth Sb site, Sb(6) is bonded in a 5-coordinate geometry to one O(11), one O(17), one O(23), one O(28), and one O(7) atom. The Sb(6)-O(11) bond length is 2.07 Å. The Sb(6)-O(17) bond length is 2.63 Å. The Sb(6)-O(23) bond length is 2.06 Å. The Sb(6)-O(28) bond length is 2.21 Å. The Sb(6)-O(7) bond length is 2.27 Å. In the seventh Sb site, Sb(7) is bonded in a 5-coordinate geometry to one O(15), one O(21), one O(25), one O(5), and one O(9) atom. The Sb(7)-O(15) bond length is 2.70 Å. The Sb(7)-O(21) bond length is 2.05 Å. The Sb(7)-O(25) bond length is 2.27 Å. The Sb(7)-O(5) bond length is 2.21 Å. The Sb(7)-O(9) bond length is 2.06 Å. In the eighth Sb site, Sb(8) is bonded in a 5-coordinate geometry to one O(10), one O(16), one O(22), one O(26), and one O(6) atom. The Sb(8)-O(10) bond length is 2.08 Å. The Sb(8)-O(16) bond length is 2.68 Å. The Sb(8)-O(22) bond length is 2.06 Å. The Sb(8)-O(26) bond length is 2.27 Å. The Sb(8)-O(6) bond length is 2.21 Å. In the ninth Sb site, Sb(9) is bonded to one O(1), one O(18), one O(20), one O(25), one O(27), and one O(4) atom to form SbO6 octahedra that share corners with four equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-42°. The Sb(9)-O(1) bond length is 1.98 Å. The Sb(9)-O(18) bond length is 2.00 Å. The Sb(9)-O(20) bond length is 2.00 Å. The Sb(9)-O(25) bond length is 2.04 Å. The Sb(9)-O(27) bond length is 2.06 Å. The Sb(9)-O(4) bond length is 1.97 Å. In the tenth Sb site, Sb(10) is bonded to one O(17), one O(19), one O(2), one O(26), one O(28), and one O(3) atom to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. The Sb(10)-O(17) bond length is 2.03 Å. The Sb(10)-O(19) bond length is 2.02 Å. The Sb(10)-O(2) bond length is 2.01 Å. The Sb(10)-O(26) bond length is 2.02 Å. The Sb(10)-O(28) bond length is 2.06 Å. The Sb(10)-O(3) bond length is 1.99 Å. In the eleventh Sb site, Sb(11) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(24), one O(27), and one O(8) atom. The Sb(11)-O(1) bond length is 2.68 Å. The Sb(11)-O(12) bond length is 2.22 Å. The Sb(11)-O(24) bond length is 2.27 Å. The Sb(11)-O(27) bond length is 2.06 Å. The Sb(11)-O(8) bond length is 2.06 Å. In the twelfth Sb site, Sb(12) is bonded in a 5-coordinate geometry to one O(11), one O(2), one O(23), one O(28), and one O(7) atom. The Sb(12)-O(11) bond length is 2.21 Å. The Sb(12)-O(2) bond length is 2.63 Å. The Sb(12)-O(23) bond length is 2.27 Å. The Sb(12)-O(28) bond length is 2.07 Å. The Sb(12)-O(7) bond length is 2.06 Å. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ta(2), one Sb(11), and one Sb(9) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sb(10), one Sb(12), and one Sb(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sb(10) and one Sb(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ta(2) and one Sb(9) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ta(1), one Sb(1), and one Sb(7) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Sb(2), one Sb(3), and one Sb(8) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ta(1), one Sb(12), and one Sb(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Sb(11), one Sb(3), and one Sb(5) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ta(2), one Sb(1), and one Sb(7) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Sb(2), one Sb(4), and one Sb(8) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Sb(12), one Sb(4), and one Sb(6) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ta(2), one Sb(11), and one Sb(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Ta(4) and one Sb(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Ta(1) and one Ta(3) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Ta(1), one Ta(3), and one Sb(7) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one Ta(4), one Sb(3), and one Sb(8) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Sb(10), one Sb(4), and one Sb(6) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Ta(2), one Sb(5), and one Sb(9) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Sb(10) and one Sb(4) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Ta(2) and one Sb(9) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Ta(3), one Sb(1), and one Sb(7) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Ta(4), one Sb(2), and one Sb(8) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Ta(3), one Sb(12), and one Sb(6) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Ta(4), one Sb(11), and one Sb(5) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal planar geometry to one Sb(1), one Sb(7), and one Sb(9) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Sb(10), one Sb(2), and one Sb(8) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to one Sb(11), one Sb(5), and one Sb(9) atom. In the twenty-eighth O site, O(28) is bonded in a distorted trigonal planar geometry to one Sb(10), one Sb(12), and one Sb(6) atom. In the twenty-ninth O site, O(29) is bonded in a bent 150 degrees geometry to one Ta(1) and one Ta(3) atom. In the thirtieth O site, O(30) is bonded in a bent 150 degrees geometry to one Ta(4) and one Sb(3) atom. In the thirty-first O site, O(31) is bonded in a 2-coordinate geometry to one Ta(4), one Sb(2), and one Sb(3) atom. In the thirty-second O site, O(32) is bonded in a distorted bent 150 degrees geometry to one Ta(1), one Ta(3), and one Sb(1) atom.