DOI: 10.17188/1736532
title: Materials Data on Y19Mg97 by Materials Project

description: Mg97Y19 is alpha-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are thirty-one inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two equivalent Y atoms. There are a spread of Mg–Mg bond distances ranging from 2.96–3.40 Å. There are one shorter (3.24 Å) and one longer (3.64 Å) Mg–Y bond lengths. In the second Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two equivalent Y atoms. There are a spread of Mg–Mg bond distances ranging from 2.96–3.40 Å. There are one shorter (3.25 Å) and one longer (3.64 Å) Mg–Y bond lengths. In the third Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two equivalent Y atoms. There are a spread of Mg–Mg bond distances ranging from 2.95–3.40 Å. There are one shorter (3.25 Å) and one longer (3.63 Å) Mg–Y bond lengths. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two Y atoms. There are a spread of Mg–Mg bond distances ranging from 2.95–3.43 Å. There are one shorter (3.26 Å) and one longer (3.63 Å) Mg–Y bond lengths. In the fifth Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two Y atoms. There are a spread of Mg–Mg bond distances ranging from 2.95–3.42 Å. There are one shorter (3.25 Å) and one longer (3.63 Å) Mg–Y bond lengths. In the sixth Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two Y atoms. There are a spread of Mg–Mg bond distances ranging from 2.95–3.43 Å. There are one shorter (3.25 Å) and one longer (3.62 Å) Mg–Y bond lengths. In the seventh Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two Y atoms. There are a spread of Mg–Mg bond distances ranging from 2.95–3.42 Å. There are one shorter (3.24 Å) and one longer (3.63 Å) Mg–Y bond lengths. In the eighth Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two Y atoms. There are a spread of Mg–Mg bond distances ranging from 2.94–3.46 Å. There are one shorter (3.25 Å) and one longer (3.65 Å) Mg–Y bond lengths. In the ninth Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two Y atoms. There are a spread of Mg–Mg bond distances ranging from 2.94–3.45 Å. There are one shorter (3.25 Å) and one longer (3.67 Å) Mg–Y bond lengths. In the tenth Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two Y atoms. There are a spread of Mg–Mg bond distances ranging from 2.94–3.45 Å. There are one shorter (3.24 Å) and one longer (3.66 Å) Mg–Y bond lengths. In the eleventh Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two Y atoms. There are a spread of Mg–Mg bond distances ranging from 2.95–3.44 Å. There are one shorter (3.24 Å) and one longer (3.67 Å) Mg–Y bond lengths. In the twelfth Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two Y atoms. There are a spread of Mg–Mg bond distances ranging from 2.95–3.46 Å. There are one shorter (3.24 Å) and one longer (3.68 Å) Mg–Y bond lengths. In the thirteenth Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two Y atoms. There are a spread of Mg–Mg bond distances ranging from 2.95–3.46 Å. There are one shorter (3.24 Å) and one longer (3.68 Å) Mg–Y bond lengths. In the fourteenth Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two Y atoms. There are a spread of Mg–Mg bond distances ranging from 2.95–3.46 Å. There are one shorter (3.25 Å) and one longer (3.68 Å) Mg–Y bond lengths. In the fifteenth Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two Y atoms. There are a spread of Mg–Mg bond distances ranging from 2.95–3.46 Å. There are one shorter (3.25 Å) and one longer (3.67 Å) Mg–Y bond lengths. In the sixteenth Mg site, Mg is bonded in a 4-coordinate geometry to twelve Mg and four Y atoms. There are a spread of Mg–Mg bond distances ranging from 3.45–3.48 Å. There are two shorter (3.64 Å) and two longer (3.68 Å) Mg–Y bond lengths. In the seventeenth Mg site, Mg is bonded in a 12-coordinate geometry to nine Mg and three Y atoms. There are one shorter (2.85 Å) and two longer (3.02 Å) Mg–Mg bond lengths. There are two shorter (3.49 Å) and one longer (3.53 Å) Mg–Y bond lengths. In the eighteenth Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Y atoms. There are one shorter (2.83 Å) and two longer (3.01 Å) Mg–Mg bond lengths. There are a spread of Mg–Y bond distances ranging from 3.43–3.52 Å. In the nineteenth Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Y atoms. There are one shorter (2.84 Å) and two longer (3.02 Å) Mg–Mg bond lengths. There are a spread of Mg–Y bond distances ranging from 3.44–3.51 Å. In the twentieth Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Y atoms. There are one shorter (2.85 Å) and one longer (3.04 Å) Mg–Mg bond lengths. There are a spread of Mg–Y bond distances ranging from 3.44–3.54 Å. In the twenty-first Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Y atoms. There are one shorter (2.84 Å) and one longer (3.04 Å) Mg–Mg bond lengths. There are a spread of Mg–Y bond distances ranging from 3.44–3.54 Å. In the twenty-second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Y atoms. The Mg–Mg bond length is 2.84 Å. There are a spread of Mg–Y bond distances ranging from 3.43–3.55 Å. In the twenty-third Mg site, Mg is bonded in a 12-coordinate geometry to nine Mg and three Y atoms. There are one shorter (2.86 Å) and one longer (3.05 Å) Mg–Mg bond lengths. There are a spread of Mg–Y bond distances ranging from 3.46–3.56 Å. In the twenty-fourth Mg site, Mg is bonded in a 12-coordinate geometry to nine Mg and three Y atoms. There are one shorter (2.85 Å) and two longer (3.05 Å) Mg–Mg bond lengths. There are two shorter (3.47 Å) and one longer (3.59 Å) Mg–Y bond lengths. In the twenty-fifth Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Y atoms. There are one shorter (2.85 Å) and two longer (3.04 Å) Mg–Mg bond lengths. There are a spread of Mg–Y bond distances ranging from 3.46–3.59 Å. In the twenty-sixth Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Y atoms. There are one shorter (2.85 Å) and two longer (3.04 Å) Mg–Mg bond lengths. There are a spread of Mg–Y bond distances ranging from 3.47–3.59 Å. In the twenty-seventh Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Y atoms. Both Mg–Mg bond lengths are 3.04 Å. There are a spread of Mg–Y bond distances ranging from 3.46–3.61 Å. In the twenty-eighth Mg site, Mg is bonded in a 12-coordinate geometry to nine Mg and three Y atoms. The Mg–Mg bond length is 3.02 Å. There are a spread of Mg–Y bond distances ranging from 3.47–3.55 Å. In the twenty-ninth Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Y atoms. The Mg–Mg bond length is 3.01 Å. There are a spread of Mg–Y bond distances ranging from 3.47–3.55 Å. In the thirtieth Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Y atoms. The Mg–Mg bond length is 3.01 Å. There are a spread of Mg–Y bond distances ranging from 3.47–3.55 Å. In the thirty-first Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Y atoms. The Mg–Mg bond length is 3.01 Å. There are a spread of Mg–Y bond distances ranging from 3.47–3.58 Å. There are nine inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to fifteen Mg and one Y atom. The Y–Y bond length is 3.67 Å. In the second Y site, Y is bonded in a 3-coordinate geometry to fifteen Mg and one Y atom. The Y–Y bond length is 3.68 Å. In the third Y site, Y is bonded in a 3-coordinate geometry to sixteen Mg atoms. In the fourth Y site, Y is bonded in a 3-coordinate geometry to fifteen Mg and one Y atom. The Y–Y bond length is 3.69 Å. In the fifth Y site, Y is bonded in a 3-coordinate geometry to fifteen Mg and one Y atom. The Y–Y bond length is 3.70 Å. In the sixth Y site, Y is bonded in a 3-coordinate geometry to fifteen Mg and one Y atom. The Y–Y bond length is 3.70 Å. In the seventh Y site, Y is bonded in a 3-coordinate geometry to sixteen Mg atoms. In the eighth Y site, Y is bonded in a 12-coordinate geometry to twelve Mg and four Y atoms. In the ninth Y site, Y is bonded in a 12-coordinate geometry to twelve Mg and four Y atoms.