Materials Data on Cd4P6SN12 by Materials Project
Cd4P6N12S crystallizes in the cubic I-43m space group. The structure is three-dimensional. Cd2+ is bonded to three equivalent N3- and one S2- atom to form distorted CdSN3 tetrahedra that share corners with three equivalent CdSN3 tetrahedra and corners with six equivalent PN4 tetrahedra. All Cd–N bond lengths are 2.26 Å. The Cd–S bond length is 2.49 Å. P5+ is bonded to four equivalent N3- atoms to form PN4 tetrahedra that share corners with four equivalent CdSN3 tetrahedra and corners with four equivalent PN4 tetrahedra. All P–N bond lengths are 1.64 Å. N3- is bonded in a distorted trigonal planar geometry to one Cd2+ and two equivalent P5+ atoms. S2- is bonded in a tetrahedral geometry to four equivalent Cd2+ atoms.
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