Materials Data on Sr3Ga2Cl2O5 by Materials Project
Sr3Ga2O5Cl2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are six inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 3-coordinate geometry to four O2- and four Cl1- atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.87 Å. There are a spread of Sr–Cl bond distances ranging from 3.14–3.50 Å. In the second Sr2+ site, Sr2+ is bonded in a 3-coordinate geometry to four O2- and four Cl1- atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.89 Å. There are a spread of Sr–Cl bond distances ranging from 3.14–3.47 Å. In the third Sr2+ site, Sr2+ is bonded in a 3-coordinate geometry to three O2- and three Cl1- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.51 Å. There are a spread of Sr–Cl bond distances ranging from 3.14–3.28 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 3-coordinate geometry to four O2- and four Cl1- atoms. There are a spread of Sr–O bond distances ranging from 2.45–2.73 Å. There are a spread of Sr–Cl bond distances ranging from 3.03–3.59 Å. In the fifth Sr2+ site, Sr2+ is bonded in a 3-coordinate geometry to three O2- and three Cl1- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.51 Å. There are a spread of Sr–Cl bond distances ranging from 3.13–3.30 Å. In the sixth Sr2+ site, Sr2+ is bonded in a 3-coordinate geometry to four O2- and four Cl1- atoms. There are a spread of Sr–O bond distances ranging from 2.46–2.72 Å. There are a spread of Sr–Cl bond distances ranging from 3.03–3.61 Å. There are four inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.83–1.90 Å. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.83–1.88 Å. In the third Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.83–1.89 Å. In the fourth Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.83–1.88 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and two Ga3+ atoms. In the second O2- site, O2- is bonded to three Sr2+ and one Ga3+ atom to form distorted corner-sharing OSr3Ga tetrahedra. In the third O2- site, O2- is bonded to three Sr2+ and one Ga3+ atom to form distorted corner-sharing OSr3Ga tetrahedra. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and two Ga3+ atoms. In the fifth O2- site, O2- is bonded to three Sr2+ and one Ga3+ atom to form distorted corner-sharing OSr3Ga tetrahedra. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Sr2+ and two Ga3+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Ga3+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Ga3+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Ga3+ atoms. In the tenth O2- site, O2- is bonded to three Sr2+ and one Ga3+ atom to form distorted corner-sharing OSr3Ga tetrahedra. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to five Sr2+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to six Sr2+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to six Sr2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to five Sr2+ atoms.