Np3OF12 crystallizes in the monoclinic Cm space group. There are four inequivalent Np sites. In the first Np site, Np(1) is bonded in a 8-coordinate geometry to one O(2), one F(11), two equivalent F(10), two equivalent F(3), and two equivalent F(7) atoms. In the second Np site, Np(2) is bonded in a 8-coordinate geometry to one O(1), one F(11), two equivalent F(2), two equivalent F(8), and two equivalent F(9) atoms. In the third Np site, Np(3) is bonded in a 9-coordinate geometry to one F(1), one F(10), one F(12), one F(14), one F(2), one F(4), one F(5), one F(6), and one F(8) atom. In the fourth Np site, Np(4) is bonded in a 8-coordinate geometry to one F(1), one F(13), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(9) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Np(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Np(1) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Np(3) and one Np(4) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Np(2) and one Np(3) atom. In the third F site, F(3) is bonded in a linear geometry to one Np(1) and one Np(4) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Np(3) and one Np(4) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Np(3) and one Np(4) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Np(3) and one Np(4) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Np(1) and one Np(4) atom. In the eighth F site, F(8) is bonded in a linear geometry to one Np(2) and one Np(3) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Np(2) and one Np(4) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Np(1) and one Np(3) atom. In the eleventh F site, F(11) is bonded in a linear geometry to one Np(1) and one Np(2) atom. In the twelfth F site, F(12) is bonded in a bent 120 degrees geometry to two equivalent Np(3) atoms. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to two equivalent Np(4) atoms. In the fourteenth F site, F(14) is bonded in a water-like geometry to two equivalent Np(3) atoms.
Np3OF12 crystallizes in the monoclinic Cm space group. There are four inequivalent Np sites. In the first Np site, Np(1) is bonded in a 8-coordinate geometry to one O(2), one F(11), two equivalent F(10), two equivalent F(3), and two equivalent F(7) atoms. The Np(1)-O(2) bond length is 1.80 Å. The Np(1)-F(11) bond length is 2.27 Å. Both Np(1)-F(10) bond lengths are 2.31 Å. Both Np(1)-F(3) bond lengths are 2.35 Å. Both Np(1)-F(7) bond lengths are 2.22 Å. In the second Np site, Np(2) is bonded in a 8-coordinate geometry to one O(1), one F(11), two equivalent F(2), two equivalent F(8), and two equivalent F(9) atoms. The Np(2)-O(1) bond length is 1.79 Å. The Np(2)-F(11) bond length is 2.29 Å. Both Np(2)-F(2) bond lengths are 2.20 Å. Both Np(2)-F(8) bond lengths are 2.39 Å. Both Np(2)-F(9) bond lengths are 2.36 Å. In the third Np site, Np(3) is bonded in a 9-coordinate geometry to one F(1), one F(10), one F(12), one F(14), one F(2), one F(4), one F(5), one F(6), and one F(8) atom. The Np(3)-F(1) bond length is 2.31 Å. The Np(3)-F(10) bond length is 2.21 Å. The Np(3)-F(12) bond length is 2.27 Å. The Np(3)-F(14) bond length is 2.46 Å. The Np(3)-F(2) bond length is 2.39 Å. The Np(3)-F(4) bond length is 2.29 Å. The Np(3)-F(5) bond length is 2.24 Å. The Np(3)-F(6) bond length is 2.37 Å. The Np(3)-F(8) bond length is 2.22 Å. In the fourth Np site, Np(4) is bonded in a 8-coordinate geometry to one F(1), one F(13), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(9) atom. The Np(4)-F(1) bond length is 2.27 Å. The Np(4)-F(13) bond length is 2.26 Å. The Np(4)-F(3) bond length is 2.18 Å. The Np(4)-F(4) bond length is 2.22 Å. The Np(4)-F(5) bond length is 2.29 Å. The Np(4)-F(6) bond length is 2.23 Å. The Np(4)-F(7) bond length is 2.34 Å. The Np(4)-F(9) bond length is 2.21 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Np(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Np(1) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Np(3) and one Np(4) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Np(2) and one Np(3) atom. In the third F site, F(3) is bonded in a linear geometry to one Np(1) and one Np(4) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Np(3) and one Np(4) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Np(3) and one Np(4) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Np(3) and one Np(4) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Np(1) and one Np(4) atom. In the eighth F site, F(8) is bonded in a linear geometry to one Np(2) and one Np(3) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Np(2) and one Np(4) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Np(1) and one Np(3) atom. In the eleventh F site, F(11) is bonded in a linear geometry to one Np(1) and one Np(2) atom. In the twelfth F site, F(12) is bonded in a bent 120 degrees geometry to two equivalent Np(3) atoms. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to two equivalent Np(4) atoms. In the fourteenth F site, F(14) is bonded in a water-like geometry to two equivalent Np(3) atoms.