DOI: 10.17188/1732319
title: Materials Data on H14Pb6C8O13 by Materials Project

description: (Pb3(CO3)2)2(CH3)4H2O crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of eight methane molecules; two water molecules; and one Pb3(CO3)2 sheet oriented in the (0, 0, 1) direction. In the Pb3(CO3)2 sheet, there are six inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.27–2.44 Å. In the second Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.23–3.16 Å. In the third Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.39–2.42 Å. In the fourth Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.36–3.24 Å. In the fifth Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.27–2.72 Å. In the sixth Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.25–2.41 Å. There are four inequivalent C sites. In the first C site, C is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.30 Å) C–O bond length. In the second C site, C is bonded in a distorted bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.28 Å. In the third C site, C is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.29 Å) C–O bond length. In the fourth C site, C is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing OPb4 tetrahedra. In the second O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing OPb4 tetrahedra. In the third O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the fourth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb2+ and one C atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to two Pb2+ and one C atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one C atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one Pb2+ and one C atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb2+ and one C atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one C atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one Pb2+ and one C atom.