DOI: 10.17188/1288467
title: Materials Data on K2Mn7H18(C9O20)2 by Materials Project

description: K2Mn7H14(C7O16)2(CHO2)4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four formic acid molecules and one K2Mn7H14(C7O16)2 cluster. In the K2Mn7H14(C7O16)2 cluster, K is bonded in a 1-coordinate geometry to one O atom. The K–O bond length is 2.42 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a 2-coordinate geometry to four O atoms. There is two shorter (1.61 Å) and two longer (2.12 Å) Mn–O bond length. In the second Mn site, Mn is bonded in a distorted pentagonal bipyramidal geometry to seven O atoms. There are a spread of Mn–O bond distances ranging from 2.00–2.45 Å. In the third Mn site, Mn is bonded in a 2-coordinate geometry to three O atoms. There are a spread of Mn–O bond distances ranging from 1.64–2.28 Å. In the fourth Mn site, Mn is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are a spread of Mn–O bond distances ranging from 1.37–2.08 Å. There are seven inequivalent C sites. In the first C site, C is bonded in a distorted trigonal planar geometry to one H and two O atoms. The C–H bond length is 1.21 Å. There is one shorter (0.89 Å) and one longer (1.35 Å) C–O bond length. In the second C site, C is bonded in a 3-coordinate geometry to one H and two O atoms. The C–H bond length is 1.05 Å. There is one shorter (1.17 Å) and one longer (1.56 Å) C–O bond length. In the third C site, C is bonded in a 1-coordinate geometry to one H and two O atoms. The C–H bond length is 1.47 Å. There is one shorter (0.87 Å) and one longer (1.50 Å) C–O bond length. In the fourth C site, C is bonded in a trigonal planar geometry to one H and two O atoms. The C–H bond length is 1.12 Å. There is one shorter (1.22 Å) and one longer (1.37 Å) C–O bond length. In the fifth C site, C is bonded in a distorted trigonal planar geometry to one H and two O atoms. The C–H bond length is 0.97 Å. There is one shorter (1.50 Å) and one longer (1.70 Å) C–O bond length. In the sixth C site, C is bonded in a distorted trigonal planar geometry to one H and two O atoms. The C–H bond length is 1.11 Å. There is one shorter (1.52 Å) and one longer (1.75 Å) C–O bond length. In the seventh C site, C is bonded in a distorted trigonal planar geometry to one H and two O atoms. The C–H bond length is 1.06 Å. There is one shorter (1.42 Å) and one longer (1.69 Å) C–O bond length. There are seven inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one C atom. In the second H site, H is bonded in a distorted single-bond geometry to one C atom. In the third H site, H is bonded in a single-bond geometry to one C atom. In the fourth H site, H is bonded in a single-bond geometry to one C atom. In the fifth H site, H is bonded in a single-bond geometry to one C atom. In the sixth H site, H is bonded in a single-bond geometry to one C atom. In the seventh H site, H is bonded in a single-bond geometry to one C atom. There are sixteen inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Mn and one C atom. In the second O site, O is bonded in a single-bond geometry to one Mn atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Mn and one C atom. In the fourth O site, O is bonded in a single-bond geometry to two Mn atoms. In the fifth O site, O is bonded in a 2-coordinate geometry to one Mn and one C atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Mn and one C atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Mn and one C atom. In the eighth O site, O is bonded in a 2-coordinate geometry to one Mn and one C atom. In the ninth O site, O is bonded in a 3-coordinate geometry to one K, one Mn, and one C atom. In the tenth O site, O is bonded in a distorted bent 120 degrees geometry to one Mn and one C atom. In the eleventh O site, O is bonded in a single-bond geometry to one Mn and one C atom. In the twelfth O site, O is bonded in a bent 120 degrees geometry to one Mn and one C atom. In the thirteenth O site, O is bonded in a bent 150 degrees geometry to one Mn and one C atom. In the fourteenth O site, O is bonded in a bent 120 degrees geometry to one Mn and one C atom. In the fifteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Mn and one C atom. In the sixteenth O site, O is bonded in a distorted single-bond geometry to one C atom.