DOI: 10.17188/1689493
title: Materials Data on Sr3(Cd2Ga)2 by Materials Project

description: Sr3(Cd2Ga)2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are six inequivalent Sr sites. In the first Sr site, Sr is bonded in a 12-coordinate geometry to seven Cd and five Ga atoms. There are a spread of Sr–Cd bond distances ranging from 3.39–3.62 Å. There are a spread of Sr–Ga bond distances ranging from 3.44–3.67 Å. In the second Sr site, Sr is bonded in a 12-coordinate geometry to eight Cd and four Ga atoms. There are a spread of Sr–Cd bond distances ranging from 3.42–3.67 Å. There are a spread of Sr–Ga bond distances ranging from 3.42–3.64 Å. In the third Sr site, Sr is bonded in a 12-coordinate geometry to nine Cd and three Ga atoms. There are a spread of Sr–Cd bond distances ranging from 3.41–3.67 Å. There are one shorter (3.61 Å) and two longer (3.65 Å) Sr–Ga bond lengths. In the fourth Sr site, Sr is bonded in a 12-coordinate geometry to nine Cd and three equivalent Ga atoms. There are a spread of Sr–Cd bond distances ranging from 3.42–3.70 Å. There are two shorter (3.42 Å) and one longer (3.47 Å) Sr–Ga bond lengths. In the fifth Sr site, Sr is bonded in a 12-coordinate geometry to six Cd and six Ga atoms. There are a spread of Sr–Cd bond distances ranging from 3.39–3.62 Å. There are a spread of Sr–Ga bond distances ranging from 3.43–3.66 Å. In the sixth Sr site, Sr is bonded in a 12-coordinate geometry to nine Cd and three equivalent Ga atoms. There are a spread of Sr–Cd bond distances ranging from 3.41–3.69 Å. There are two shorter (3.42 Å) and one longer (3.47 Å) Sr–Ga bond lengths. There are eight inequivalent Cd sites. In the first Cd site, Cd is bonded in a 10-coordinate geometry to six Sr, two Cd, and two equivalent Ga atoms. There are one shorter (3.00 Å) and one longer (3.22 Å) Cd–Cd bond lengths. Both Cd–Ga bond lengths are 2.85 Å. In the second Cd site, Cd is bonded in a 10-coordinate geometry to six Sr, two Cd, and two equivalent Ga atoms. There are one shorter (3.01 Å) and one longer (3.23 Å) Cd–Cd bond lengths. Both Cd–Ga bond lengths are 2.84 Å. In the third Cd site, Cd is bonded in a 10-coordinate geometry to six Sr, three Cd, and one Ga atom. Both Cd–Cd bond lengths are 2.91 Å. The Cd–Ga bond length is 2.90 Å. In the fourth Cd site, Cd is bonded in a 10-coordinate geometry to six Sr, three Cd, and one Ga atom. Both Cd–Cd bond lengths are 2.91 Å. The Cd–Ga bond length is 2.85 Å. In the fifth Cd site, Cd is bonded in a 10-coordinate geometry to six Sr, two equivalent Cd, and two Ga atoms. Both Cd–Cd bond lengths are 2.93 Å. There are one shorter (2.89 Å) and one longer (3.13 Å) Cd–Ga bond lengths. In the sixth Cd site, Cd is bonded in a 10-coordinate geometry to six Sr, three Cd, and one Ga atom. The Cd–Ga bond length is 3.08 Å. In the seventh Cd site, Cd is bonded in a 10-coordinate geometry to six Sr, three Cd, and one Ga atom. The Cd–Ga bond length is 3.08 Å. In the eighth Cd site, Cd is bonded in a 10-coordinate geometry to six Sr, two equivalent Cd, and two Ga atoms. There are one shorter (2.96 Å) and one longer (3.13 Å) Cd–Ga bond lengths. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Sr, two Cd, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.81 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Sr and four Cd atoms. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Sr and four Cd atoms. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to six Sr, two Cd, and two equivalent Ga atoms.