DOI: 10.17188/1282636
title: Materials Data on Sr4Bi14O25 by Materials Project

description: Sr4Bi14O25 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six O2- atoms to form edge-sharing SrO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.49–2.64 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.75 Å. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.39–3.11 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.66 Å. There are fourteen inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.51 Å. In the second Bi3+ site, Bi3+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.27–2.42 Å. In the third Bi3+ site, Bi3+ is bonded in a T-shaped geometry to three O2- atoms. There are a spread of Bi–O bond distances ranging from 2.09–2.42 Å. In the fourth Bi3+ site, Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.74 Å. In the fifth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–3.01 Å. In the sixth Bi3+ site, Bi3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.83 Å. In the seventh Bi3+ site, Bi3+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.17–2.43 Å. In the eighth Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share a cornercorner with one OSr2BiO tetrahedra and edges with two equivalent BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.21–2.75 Å. In the ninth Bi3+ site, Bi3+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Bi–O bond distances ranging from 2.38–2.51 Å. In the tenth Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted corner-sharing BiO5 trigonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.13–2.67 Å. In the eleventh Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.50–2.84 Å. In the twelfth Bi3+ site, Bi3+ is bonded in a single-bond geometry to one O2- atom. The Bi–O bond length is 2.16 Å. In the thirteenth Bi3+ site, Bi3+ is bonded in a single-bond geometry to one O2- atom. The Bi–O bond length is 2.17 Å. In the fourteenth Bi3+ site, Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.31–2.48 Å. There are twenty-five inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+ and three Bi3+ atoms to form OSrBi3 tetrahedra that share corners with six OSrBi3 tetrahedra and edges with two equivalent OSr2Bi2 tetrahedra. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Bi3+ and two equivalent O2- atoms. There is one shorter (1.30 Å) and one longer (2.40 Å) O–O bond length. In the third O2- site, O2- is bonded to three Sr2+ and one Bi3+ atom to form OSr3Bi tetrahedra that share corners with six OSrBi3 tetrahedra, edges with three OSr3Bi tetrahedra, and an edgeedge with one OSrBi3 trigonal pyramid. In the fourth O2- site, O2- is bonded to two equivalent Sr2+ and two Bi3+ atoms to form distorted OSr2Bi2 tetrahedra that share corners with seven OSr3Bi tetrahedra and edges with three OSrBi3 tetrahedra. In the fifth O2- site, O2- is bonded to three Bi3+ and one O2- atom to form distorted OBi3O trigonal pyramids that share corners with four OBi3O trigonal pyramids and an edgeedge with one OSrBi3 trigonal pyramid. The O–O bond length is 1.48 Å. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to three Bi3+ atoms. In the seventh O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two Bi3+, and two equivalent O2- atoms. There is one shorter (1.45 Å) and one longer (2.43 Å) O–O bond length. In the eighth O2- site, O2- is bonded to three Sr2+ and one Bi3+ atom to form OSr3Bi tetrahedra that share corners with five OSrBi3 tetrahedra, corners with two equivalent OSrBi3 trigonal pyramids, and edges with two equivalent OSr3Bi tetrahedra. In the ninth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Sr2+ and two equivalent Bi3+ atoms. In the tenth O2- site, O2- is bonded to one Sr2+ and three Bi3+ atoms to form distorted OSrBi3 trigonal pyramids that share corners with two equivalent OSr3Bi tetrahedra, corners with four OBi3O trigonal pyramids, an edgeedge with one OSr3Bi tetrahedra, and an edgeedge with one OBi3O trigonal pyramid. In the eleventh O2- site, O2- is bonded to two equivalent Sr2+, one Bi3+, and one O2- atom to form distorted OSr2BiO tetrahedra that share a cornercorner with one BiO5 square pyramid and corners with two equivalent OSr2BiO tetrahedra. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+, one Bi3+, and two equivalent O2- atoms. In the thirteenth O2- site, O2- is bonded to four Bi3+ atoms to form distorted corner-sharing OBi4 tetrahedra. In the fourteenth O2- site, O2- is bonded in a 2-coordinate geometry to one Bi3+ and two O2- atoms. There is one shorter (1.32 Å) and one longer (2.05 Å) O–O bond length. In the fifteenth O2- site, O2- is bonded in a rectangular see-saw-like geometry to four Sr2+ atoms. In the sixteenth O2- site, O2- is bonded in a 4-coordinate geometry to one Bi3+ and three O2- atoms. In the seventeenth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent Bi3+ atoms. In the eighteenth O2- site, O2- is bonded in a 2-coordinate geometry to two Bi3+ and one O2- atom. In the nineteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the twentieth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr2+ and two Bi3+ atoms. In the twenty-first O2- site, O2- is bonded in a 3-coordinate geometry to two Bi3+ and one O2- atom. The O–O bond length is 1.50 Å. In the twenty-second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the twenty-third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Bi3+ and one O2- atom. In the twenty-fifth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms.