DOI: 10.17188/1718883
title: Materials Data on Cr24P11C by Materials Project

description: Cr24CP11 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are fourteen inequivalent Cr sites. In the first Cr site, Cr is bonded in a 5-coordinate geometry to five P atoms. There are four shorter (2.47 Å) and one longer (2.48 Å) Cr–P bond lengths. In the second Cr site, Cr is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Cr–P bond distances ranging from 2.47–2.50 Å. In the third Cr site, Cr is bonded in a 5-coordinate geometry to one C and four equivalent P atoms. The Cr–C bond length is 2.42 Å. All Cr–P bond lengths are 2.46 Å. In the fourth Cr site, Cr is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Cr–P bond distances ranging from 2.47–2.51 Å. In the fifth Cr site, Cr is bonded in a 5-coordinate geometry to five P atoms. There are two shorter (2.47 Å) and three longer (2.48 Å) Cr–P bond lengths. In the sixth Cr site, Cr is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Cr–P bond distances ranging from 2.45–2.54 Å. In the seventh Cr site, Cr is bonded in a 5-coordinate geometry to one C and four P atoms. The Cr–C bond length is 2.29 Å. There are two shorter (2.48 Å) and two longer (2.53 Å) Cr–P bond lengths. In the eighth Cr site, Cr is bonded to four P atoms to form a mixture of distorted corner and edge-sharing CrP4 tetrahedra. There are two shorter (2.26 Å) and two longer (2.35 Å) Cr–P bond lengths. In the ninth Cr site, Cr is bonded to four P atoms to form a mixture of distorted corner and edge-sharing CrP4 tetrahedra. There are two shorter (2.26 Å) and two longer (2.33 Å) Cr–P bond lengths. In the tenth Cr site, Cr is bonded in a 4-coordinate geometry to two equivalent C and two equivalent P atoms. Both Cr–C bond lengths are 2.14 Å. Both Cr–P bond lengths are 2.39 Å. In the eleventh Cr site, Cr is bonded to four P atoms to form a mixture of distorted corner and edge-sharing CrP4 tetrahedra. There are two shorter (2.26 Å) and two longer (2.33 Å) Cr–P bond lengths. In the twelfth Cr site, Cr is bonded to four P atoms to form a mixture of distorted corner and edge-sharing CrP4 tetrahedra. There are two shorter (2.27 Å) and two longer (2.34 Å) Cr–P bond lengths. In the thirteenth Cr site, Cr is bonded in a 4-coordinate geometry to two equivalent C and two P atoms. Both Cr–C bond lengths are 2.15 Å. There are one shorter (2.42 Å) and one longer (2.43 Å) Cr–P bond lengths. In the fourteenth Cr site, Cr is bonded to four P atoms to form a mixture of distorted corner and edge-sharing CrP4 tetrahedra. There are a spread of Cr–P bond distances ranging from 2.27–2.32 Å. C is bonded in a 9-coordinate geometry to nine Cr atoms. There are six inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Cr atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Cr atoms. In the third P site, P is bonded in a 9-coordinate geometry to nine Cr atoms. In the fourth P site, P is bonded in a 9-coordinate geometry to nine Cr atoms. In the fifth P site, P is bonded in a 9-coordinate geometry to nine Cr atoms. In the sixth P site, P is bonded in a 9-coordinate geometry to nine Cr atoms.