Rb2Nb3O5Cl7 crystallizes in the triclinic P1 space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(11), one Cl(12), one Cl(13), one Cl(14), one Cl(2), one Cl(5), one Cl(6), and one Cl(8) atom. In the second Rb site, Rb(2) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(10), one Cl(13), one Cl(14), one Cl(2), one Cl(4), one Cl(5), one Cl(7), and one Cl(8) atom. In the third Rb site, Rb(3) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(10), one Cl(11), one Cl(12), one Cl(3), one Cl(5), one Cl(6), one Cl(7), and one Cl(9) atom. In the fourth Rb site, Rb(4) is bonded in a 9-coordinate geometry to one Cl(10), one Cl(12), one Cl(14), one Cl(2), one Cl(3), one Cl(4), one Cl(6), one Cl(7), and one Cl(9) atom. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted octahedral geometry to one O(2), one O(5), one O(7), one O(9), one Cl(13), and one Cl(3) atom. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(3), one O(5), one O(6), one Cl(2), one Cl(4), and one Cl(5) atom. In the third Nb site, Nb(3) is bonded in a 6-coordinate geometry to one O(10), one O(7), one O(8), one Cl(10), one Cl(4), and one Cl(6) atom. In the fourth Nb site, Nb(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(9), one Cl(11), one Cl(12), and one Cl(7) atom. In the fifth Nb site, Nb(5) is bonded in a distorted octahedral geometry to one O(1), one O(3), one O(4), one O(8), one Cl(8), and one Cl(9) atom. In the sixth Nb site, Nb(6) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(6), one Cl(1), one Cl(11), and one Cl(14) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Nb(4) and one Nb(5) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(6) atom. In the third O site, O(3) is bonded in a linear geometry to one Nb(2) and one Nb(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Nb(5) and one Nb(6) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Nb(2) and one Nb(6) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(3) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Nb(3) and one Nb(5) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Nb(1) and one Nb(4) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Nb(3) and one Nb(4) atom. There are fourteen inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one Rb(1), one Rb(2), one Rb(3), and one Nb(6) atom. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to one Rb(1), one Rb(2), one Rb(4), and one Nb(2) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to one Rb(3), one Rb(4), and one Nb(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal pyramidal geometry to one Rb(2), one Rb(4), one Nb(2), and one Nb(3) atom. In the fifth Cl site, Cl(5) is bonded in a 1-coordinate geometry to one Rb(1), one Rb(2), one Rb(3), and one Nb(2) atom. In the sixth Cl site, Cl(6) is bonded in a 1-coordinate geometry to one Rb(1), one Rb(3), one Rb(4), and one Nb(3) atom. In the seventh Cl site, Cl(7) is bonded in a distorted single-bond geometry to one Rb(2), one Rb(3), one Rb(4), and one Nb(4) atom. In the eighth Cl site, Cl(8) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), and one Nb(5) atom. In the ninth Cl site, Cl(9) is bonded in a distorted single-bond geometry to one Rb(3), one Rb(4), and one Nb(5) atom. In the tenth Cl site, Cl(10) is bonded in a 4-coordinate geometry to one Rb(2), one Rb(3), one Rb(4), and one Nb(3) atom. In the eleventh Cl site, Cl(11) is bonded in a distorted trigonal pyramidal geometry to one Rb(1), one Rb(3), one Nb(4), and one Nb(6) atom. In the twelfth Cl site, Cl(12) is bonded in a 4-coordinate geometry to one Rb(1), one Rb(3), one Rb(4), and one Nb(4) atom. In the thirteenth Cl site, Cl(13) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), and one Nb(1) atom. In the fourteenth Cl site, Cl(14) is bonded in a 1-coordinate geometry to one Rb(1), one Rb(2), one Rb(4), and one Nb(6) atom.
Rb2Nb3O5Cl7 crystallizes in the triclinic P1 space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(11), one Cl(12), one Cl(13), one Cl(14), one Cl(2), one Cl(5), one Cl(6), and one Cl(8) atom. The Rb(1)-Cl(1) bond length is 3.33 Å. The Rb(1)-Cl(11) bond length is 3.50 Å. The Rb(1)-Cl(12) bond length is 3.39 Å. The Rb(1)-Cl(13) bond length is 3.60 Å. The Rb(1)-Cl(14) bond length is 3.35 Å. The Rb(1)-Cl(2) bond length is 3.76 Å. The Rb(1)-Cl(5) bond length is 3.83 Å. The Rb(1)-Cl(6) bond length is 3.69 Å. The Rb(1)-Cl(8) bond length is 3.54 Å. In the second Rb site, Rb(2) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(10), one Cl(13), one Cl(14), one Cl(2), one Cl(4), one Cl(5), one Cl(7), and one Cl(8) atom. The Rb(2)-Cl(1) bond length is 3.75 Å. The Rb(2)-Cl(10) bond length is 3.34 Å. The Rb(2)-Cl(13) bond length is 3.55 Å. The Rb(2)-Cl(14) bond length is 3.85 Å. The Rb(2)-Cl(2) bond length is 3.28 Å. The Rb(2)-Cl(4) bond length is 3.49 Å. The Rb(2)-Cl(5) bond length is 3.43 Å. The Rb(2)-Cl(7) bond length is 3.70 Å. The Rb(2)-Cl(8) bond length is 3.62 Å. In the third Rb site, Rb(3) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(10), one Cl(11), one Cl(12), one Cl(3), one Cl(5), one Cl(6), one Cl(7), and one Cl(9) atom. The Rb(3)-Cl(1) bond length is 3.33 Å. The Rb(3)-Cl(10) bond length is 3.80 Å. The Rb(3)-Cl(11) bond length is 3.41 Å. The Rb(3)-Cl(12) bond length is 3.38 Å. The Rb(3)-Cl(3) bond length is 3.54 Å. The Rb(3)-Cl(5) bond length is 3.60 Å. The Rb(3)-Cl(6) bond length is 3.88 Å. The Rb(3)-Cl(7) bond length is 3.45 Å. The Rb(3)-Cl(9) bond length is 3.56 Å. In the fourth Rb site, Rb(4) is bonded in a 9-coordinate geometry to one Cl(10), one Cl(12), one Cl(14), one Cl(2), one Cl(3), one Cl(4), one Cl(6), one Cl(7), and one Cl(9) atom. The Rb(4)-Cl(10) bond length is 3.42 Å. The Rb(4)-Cl(12) bond length is 3.83 Å. The Rb(4)-Cl(14) bond length is 3.66 Å. The Rb(4)-Cl(2) bond length is 3.33 Å. The Rb(4)-Cl(3) bond length is 3.61 Å. The Rb(4)-Cl(4) bond length is 3.44 Å. The Rb(4)-Cl(6) bond length is 3.36 Å. The Rb(4)-Cl(7) bond length is 3.83 Å. The Rb(4)-Cl(9) bond length is 3.62 Å. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted octahedral geometry to one O(2), one O(5), one O(7), one O(9), one Cl(13), and one Cl(3) atom. The Nb(1)-O(2) bond length is 1.93 Å. The Nb(1)-O(5) bond length is 2.17 Å. The Nb(1)-O(7) bond length is 2.18 Å. The Nb(1)-O(9) bond length is 1.80 Å. The Nb(1)-Cl(13) bond length is 2.45 Å. The Nb(1)-Cl(3) bond length is 2.40 Å. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(3), one O(5), one O(6), one Cl(2), one Cl(4), and one Cl(5) atom. The Nb(2)-O(3) bond length is 1.97 Å. The Nb(2)-O(5) bond length is 1.84 Å. The Nb(2)-O(6) bond length is 1.91 Å. The Nb(2)-Cl(2) bond length is 2.54 Å. The Nb(2)-Cl(4) bond length is 2.73 Å. The Nb(2)-Cl(5) bond length is 2.40 Å. In the third Nb site, Nb(3) is bonded in a 6-coordinate geometry to one O(10), one O(7), one O(8), one Cl(10), one Cl(4), and one Cl(6) atom. The Nb(3)-O(10) bond length is 1.99 Å. The Nb(3)-O(7) bond length is 1.78 Å. The Nb(3)-O(8) bond length is 2.05 Å. The Nb(3)-Cl(10) bond length is 2.48 Å. The Nb(3)-Cl(4) bond length is 2.77 Å. The Nb(3)-Cl(6) bond length is 2.39 Å. In the fourth Nb site, Nb(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(9), one Cl(11), one Cl(12), and one Cl(7) atom. The Nb(4)-O(1) bond length is 1.81 Å. The Nb(4)-O(10) bond length is 1.86 Å. The Nb(4)-O(9) bond length is 2.11 Å. The Nb(4)-Cl(11) bond length is 2.80 Å. The Nb(4)-Cl(12) bond length is 2.44 Å. The Nb(4)-Cl(7) bond length is 2.39 Å. In the fifth Nb site, Nb(5) is bonded in a distorted octahedral geometry to one O(1), one O(3), one O(4), one O(8), one Cl(8), and one Cl(9) atom. The Nb(5)-O(1) bond length is 2.10 Å. The Nb(5)-O(3) bond length is 1.93 Å. The Nb(5)-O(4) bond length is 2.15 Å. The Nb(5)-O(8) bond length is 1.83 Å. The Nb(5)-Cl(8) bond length is 2.47 Å. The Nb(5)-Cl(9) bond length is 2.41 Å. In the sixth Nb site, Nb(6) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(6), one Cl(1), one Cl(11), and one Cl(14) atom. The Nb(6)-O(2) bond length is 2.05 Å. The Nb(6)-O(4) bond length is 1.84 Å. The Nb(6)-O(6) bond length is 1.95 Å. The Nb(6)-Cl(1) bond length is 2.53 Å. The Nb(6)-Cl(11) bond length is 2.72 Å. The Nb(6)-Cl(14) bond length is 2.39 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Nb(4) and one Nb(5) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(6) atom. In the third O site, O(3) is bonded in a linear geometry to one Nb(2) and one Nb(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Nb(5) and one Nb(6) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Nb(2) and one Nb(6) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(3) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Nb(3) and one Nb(5) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Nb(1) and one Nb(4) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Nb(3) and one Nb(4) atom. There are fourteen inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one Rb(1), one Rb(2), one Rb(3), and one Nb(6) atom. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to one Rb(1), one Rb(2), one Rb(4), and one Nb(2) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to one Rb(3), one Rb(4), and one Nb(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal pyramidal geometry to one Rb(2), one Rb(4), one Nb(2), and one Nb(3) atom. In the fifth Cl site, Cl(5) is bonded in a 1-coordinate geometry to one Rb(1), one Rb(2), one Rb(3), and one Nb(2) atom. In the sixth Cl site, Cl(6) is bonded in a 1-coordinate geometry to one Rb(1), one Rb(3), one Rb(4), and one Nb(3) atom. In the seventh Cl site, Cl(7) is bonded in a distorted single-bond geometry to one Rb(2), one Rb(3), one Rb(4), and one Nb(4) atom. In the eighth Cl site, Cl(8) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), and one Nb(5) atom. In the ninth Cl site, Cl(9) is bonded in a distorted single-bond geometry to one Rb(3), one Rb(4), and one Nb(5) atom. In the tenth Cl site, Cl(10) is bonded in a 4-coordinate geometry to one Rb(2), one Rb(3), one Rb(4), and one Nb(3) atom. In the eleventh Cl site, Cl(11) is bonded in a distorted trigonal pyramidal geometry to one Rb(1), one Rb(3), one Nb(4), and one Nb(6) atom. In the twelfth Cl site, Cl(12) is bonded in a 4-coordinate geometry to one Rb(1), one Rb(3), one Rb(4), and one Nb(4) atom. In the thirteenth Cl site, Cl(13) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), and one Nb(1) atom. In the fourteenth Cl site, Cl(14) is bonded in a 1-coordinate geometry to one Rb(1), one Rb(2), one Rb(4), and one Nb(6) atom.