Fe4H14O13 crystallizes in the triclinic P1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(2), one O(5), one O(8), and one O(9) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 37-44°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(2), one O(6), and one O(7) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 35-44°. In the third Fe site, Fe(3) is bonded to one O(11), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 35-44°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(12), one O(3), one O(4), one O(5), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 37-44°. There are fourteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(7) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(8) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(9) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(10) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(11) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(12) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(13) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(13) atom. In the fourteenth H site, H(14) is bonded in a linear geometry to one O(13) and one O(6) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(2), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(2), and one H(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Fe(3), one Fe(4), and one H(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Fe(3), one Fe(4), and one H(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(4), and one H(5) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Fe(2), one Fe(3), and one H(14) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Fe(2), one Fe(3), and one H(6) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(4), and one H(7) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(3), and one H(8) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Fe(2), one Fe(4), and one H(9) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(3), and one H(10) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Fe(2), one Fe(4), and one H(11) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one H(12), one H(13), and one H(14) atom.
Fe4H14O13 crystallizes in the triclinic P1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(2), one O(5), one O(8), and one O(9) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 37-44°. The Fe(1)-O(1) bond length is 2.06 Å. The Fe(1)-O(11) bond length is 2.09 Å. The Fe(1)-O(2) bond length is 2.07 Å. The Fe(1)-O(5) bond length is 2.10 Å. The Fe(1)-O(8) bond length is 2.06 Å. The Fe(1)-O(9) bond length is 2.03 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(2), one O(6), and one O(7) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 35-44°. The Fe(2)-O(1) bond length is 2.10 Å. The Fe(2)-O(10) bond length is 2.10 Å. The Fe(2)-O(12) bond length is 2.07 Å. The Fe(2)-O(2) bond length is 2.09 Å. The Fe(2)-O(6) bond length is 2.07 Å. The Fe(2)-O(7) bond length is 2.04 Å. In the third Fe site, Fe(3) is bonded to one O(11), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 35-44°. The Fe(3)-O(11) bond length is 2.11 Å. The Fe(3)-O(3) bond length is 2.08 Å. The Fe(3)-O(4) bond length is 2.09 Å. The Fe(3)-O(6) bond length is 2.04 Å. The Fe(3)-O(7) bond length is 2.04 Å. The Fe(3)-O(9) bond length is 2.08 Å. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(12), one O(3), one O(4), one O(5), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 37-44°. The Fe(4)-O(10) bond length is 2.08 Å. The Fe(4)-O(12) bond length is 2.11 Å. The Fe(4)-O(3) bond length is 2.08 Å. The Fe(4)-O(4) bond length is 2.11 Å. The Fe(4)-O(5) bond length is 2.06 Å. The Fe(4)-O(8) bond length is 2.02 Å. There are fourteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 1.00 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. The H(2)-O(2) bond length is 1.01 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. The H(3)-O(3) bond length is 1.00 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. The H(4)-O(4) bond length is 1.00 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(5) atom. The H(5)-O(5) bond length is 0.99 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(7) atom. The H(6)-O(7) bond length is 0.99 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(8) atom. The H(7)-O(8) bond length is 1.00 Å. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(9) atom. The H(8)-O(9) bond length is 1.01 Å. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(10) atom. The H(9)-O(10) bond length is 1.00 Å. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(11) atom. The H(10)-O(11) bond length is 1.01 Å. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(12) atom. The H(11)-O(12) bond length is 0.99 Å. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(13) atom. The H(12)-O(13) bond length is 0.98 Å. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(13) atom. The H(13)-O(13) bond length is 0.99 Å. In the fourteenth H site, H(14) is bonded in a linear geometry to one O(13) and one O(6) atom. The H(14)-O(13) bond length is 1.50 Å. The H(14)-O(6) bond length is 1.04 Å. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(2), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(2), and one H(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Fe(3), one Fe(4), and one H(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Fe(3), one Fe(4), and one H(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(4), and one H(5) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Fe(2), one Fe(3), and one H(14) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Fe(2), one Fe(3), and one H(6) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(4), and one H(7) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(3), and one H(8) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Fe(2), one Fe(4), and one H(9) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(3), and one H(10) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Fe(2), one Fe(4), and one H(11) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one H(12), one H(13), and one H(14) atom.