DOI: 10.17188/1284369
title: Materials Data on Rb16Er7Ti9(PO4)24 by Materials Project

description: Rb16Er7Ti9(PO4)24 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are sixteen inequivalent Rb sites. In the first Rb site, Rb is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.22 Å. In the second Rb site, Rb is bonded in a 6-coordinate geometry to eleven O atoms. There are a spread of Rb–O bond distances ranging from 3.02–3.44 Å. In the third Rb site, Rb is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Rb–O bond distances ranging from 2.98–3.46 Å. In the fourth Rb site, Rb is bonded in a 1-coordinate geometry to fourteen O atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.56 Å. In the fifth Rb site, Rb is bonded in a 6-coordinate geometry to thirteen O atoms. There are a spread of Rb–O bond distances ranging from 2.95–3.53 Å. In the sixth Rb site, Rb is bonded in a 12-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.12 Å. In the seventh Rb site, Rb is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Rb–O bond distances ranging from 3.02–3.24 Å. In the eighth Rb site, Rb is bonded in a 2-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.37 Å. In the ninth Rb site, Rb is bonded in a 5-coordinate geometry to eleven O atoms. There are a spread of Rb–O bond distances ranging from 3.02–3.41 Å. In the tenth Rb site, Rb is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Rb–O bond distances ranging from 2.95–3.22 Å. In the eleventh Rb site, Rb is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.45 Å. In the twelfth Rb site, Rb is bonded in a 2-coordinate geometry to twelve O atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.38 Å. In the thirteenth Rb site, Rb is bonded in a 12-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.13 Å. In the fourteenth Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.95–3.20 Å. In the fifteenth Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.43 Å. In the sixteenth Rb site, Rb is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Rb–O bond distances ranging from 3.01–3.24 Å. There are seven inequivalent Er sites. In the first Er site, Er is bonded to six O atoms to form ErO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.19–2.24 Å. In the second Er site, Er is bonded to six O atoms to form ErO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.18–2.26 Å. In the third Er site, Er is bonded to six O atoms to form ErO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.17–2.23 Å. In the fourth Er site, Er is bonded to six O atoms to form ErO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.16–2.24 Å. In the fifth Er site, Er is bonded to six O atoms to form ErO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.18–2.24 Å. In the sixth Er site, Er is bonded to six O atoms to form ErO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.19–2.27 Å. In the seventh Er site, Er is bonded to six O atoms to form ErO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.18–2.23 Å. There are nine inequivalent Ti sites. In the first Ti site, Ti is bonded to six O atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Ti–O bond distances ranging from 1.97–2.05 Å. In the second Ti site, Ti is bonded to six O atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Ti–O bond distances ranging from 1.96–2.05 Å. In the third Ti site, Ti is bonded to six O atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Ti–O bond distances ranging from 1.97–2.12 Å. In the fourth Ti site, Ti is bonded to six O atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Ti–O bond distances ranging from 1.97–2.04 Å. In the fifth Ti site, Ti is bonded to six O atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Ti–O bond distances ranging from 1.94–2.04 Å. In the sixth Ti site, Ti is bonded to six O atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Ti–O bond distances ranging from 1.98–2.07 Å. In the seventh Ti site, Ti is bonded to six O atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Ti–O bond distances ranging from 1.93–2.07 Å. In the eighth Ti site, Ti is bonded to six O atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Ti–O bond distances ranging from 1.95–2.06 Å. In the ninth Ti site, Ti is bonded to six O atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Ti–O bond distances ranging from 1.96–2.04 Å. There are twenty-four inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two ErO6 octahedra and corners with two TiO6 octahedra. The corner-sharing octahedra tilt angles range from 12–50°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two ErO6 octahedra and corners with two TiO6 octahedra. The corner-sharing octahedra tilt angles range from 7–42°. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. In the third P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two ErO6 octahedra and corners with two TiO6 octahedra. The corner-sharing octahedra tilt angles range from 6–41°. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. In the fourth P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two ErO6 octahedra and corners with two TiO6 octahedra. The corner-sharing octahedra tilt angles range from 12–49°. There is two shorter (1.54 Å) and two longer (1.56 Å) P–O bond length. In the fifth P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one ErO6 octahedra and corners with three TiO6 octahedra. The corner-sharing octahedra tilt angles range from 7–40°. There is one shorter (1.53 Å) and three longer (1.56 Å) P–O bond length. In the sixth P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one ErO6 octahedra and corners with three TiO6 octahedra. The corner-sharing octahedra tilt angles range from 10–43°. There is one shorter (1.52 Å) and three longer (1.56 Å) P–O bond length. In the seventh P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two ErO6 octahedra and corners with two TiO6 octahedra. The corner-sharing octahedra tilt angles range from 6–41°. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. In the eighth P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two ErO6 octahedra and corners with two TiO6 octahedra. The corner-sharing octahedra tilt angles range from 19–50°. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. In the ninth P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one ErO6 octahedra and corners with three TiO6 octahedra. The corner-sharing octahedra tilt angles range from 13–41°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. In the tenth P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two ErO6 octahedra and corners with two TiO6 octahedra. The corner-sharing octahedra tilt angles range from 6–41°. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. In the eleventh P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one ErO6 octahedra and corners with three TiO6 octahedra. The corner-sharing octahedra tilt angles range from 8–42°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. In the twelfth P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two ErO6 octahedra and corners with two TiO6 octahedra. The corner-sharing octahedra tilt angles range from 11–39°. There are a spread of P–O bond distances ranging from 1.52–1.57 Å. In the thirteenth P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two ErO6 octahedra and corners with two TiO6 octahedra. The corner-sharing octahedra tilt angles range from 7–42°. There are a spread of P–O bond distances ranging from 1.52–1.58 Å. In the fourteenth P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two ErO6 octahedra and corners with two TiO6 octahedra. The corner-sharing octahedra tilt angles range from 15–53°. There are a spread of P–O bond distances ranging from 1.54–1.58 Å. In the fifteenth P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one ErO6 octahedra and corners with three TiO6 octahedra. The corner-sharing octahedra tilt angles range from 15–50°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. In the sixteenth P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two ErO6 octahedra and corners with two TiO6 octahedra. The corner-sharing octahedra tilt angles range from 6–41°. There are a spread of P–O bond distances ranging from 1.52–1.58 Å. In the seventeenth P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one ErO6 octahedra and corners with three TiO6 octahedra. The corner-sharing octahedra tilt angles range from 9–43°. There is one shorter (1.52 Å) and three longer (1.56 Å) P–O bond length. In the eighteenth P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two ErO6 octahedra and corners with two TiO6 octahedra. The corner-sharing octahedra tilt angles range from 7–41°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. In the nineteenth P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one TiO6 octahedra and corners with three ErO6 octahedra. The corner-sharing octahedra tilt angles range from 12–47°. There are a spread of P–O bond distances ranging from 1.53–1.59 Å. In the twentieth P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two ErO6 octahedra and corners with two TiO6 octahedra. The corner-sharing octahedra tilt angles range from 6–41°. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. In the twenty-first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two ErO6 octahedra and corners with two TiO6 octahedra. The corner-sharing octahedra tilt angles range from 6–40°. There are a spread of P–O bond distances ranging from 1.52–1.57 Å. In the twenty-second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two ErO6 octahedra and corners with two TiO6 octahedra. The corner-sharing octahedra tilt angles range from 13–41°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. In the twenty-third P site, P is bonded to four O atoms to form PO4 tetrahedra that share