DOI: 10.17188/1675887
title: Materials Data on CeSe2 by Materials Project

description: CeSe2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one CeSe2 ribbon oriented in the (0, 0, 1) direction. there are eight inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are two shorter (2.71 Å) and two longer (2.72 Å) Ce–Se bond lengths. In the second Ce4+ site, Ce4+ is bonded to four Se2- atoms to form a mixture of corner and edge-sharing CeSe4 tetrahedra. There are a spread of Ce–Se bond distances ranging from 2.69–2.73 Å. In the third Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are one shorter (2.71 Å) and three longer (2.72 Å) Ce–Se bond lengths. In the fourth Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are two shorter (2.71 Å) and two longer (2.72 Å) Ce–Se bond lengths. In the fifth Ce4+ site, Ce4+ is bonded to four Se2- atoms to form a mixture of corner and edge-sharing CeSe4 tetrahedra. There are a spread of Ce–Se bond distances ranging from 2.70–2.73 Å. In the sixth Ce4+ site, Ce4+ is bonded to four Se2- atoms to form a mixture of corner and edge-sharing CeSe4 tetrahedra. There are a spread of Ce–Se bond distances ranging from 2.69–2.73 Å. In the seventh Ce4+ site, Ce4+ is bonded to four Se2- atoms to form a mixture of corner and edge-sharing CeSe4 tetrahedra. There are a spread of Ce–Se bond distances ranging from 2.69–2.73 Å. In the eighth Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are two shorter (2.71 Å) and two longer (2.72 Å) Ce–Se bond lengths. There are sixteen inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a bent 120 degrees geometry to two Ce4+ atoms. In the second Se2- site, Se2- is bonded in a bent 120 degrees geometry to two Ce4+ atoms. In the third Se2- site, Se2- is bonded in a bent 120 degrees geometry to two Ce4+ atoms. In the fourth Se2- site, Se2- is bonded in a water-like geometry to two Ce4+ atoms. In the fifth Se2- site, Se2- is bonded in a bent 120 degrees geometry to two Ce4+ atoms. In the sixth Se2- site, Se2- is bonded in a bent 120 degrees geometry to two Ce4+ atoms. In the seventh Se2- site, Se2- is bonded in a bent 120 degrees geometry to two Ce4+ atoms. In the eighth Se2- site, Se2- is bonded in a water-like geometry to two Ce4+ atoms. In the ninth Se2- site, Se2- is bonded in a bent 120 degrees geometry to two Ce4+ atoms. In the tenth Se2- site, Se2- is bonded in a bent 120 degrees geometry to two Ce4+ atoms. In the eleventh Se2- site, Se2- is bonded in a bent 120 degrees geometry to two Ce4+ atoms. In the twelfth Se2- site, Se2- is bonded in a bent 120 degrees geometry to two Ce4+ atoms. In the thirteenth Se2- site, Se2- is bonded in a bent 120 degrees geometry to two Ce4+ atoms. In the fourteenth Se2- site, Se2- is bonded in a water-like geometry to two Ce4+ atoms. In the fifteenth Se2- site, Se2- is bonded in a bent 120 degrees geometry to two Ce4+ atoms. In the sixteenth Se2- site, Se2- is bonded in a water-like geometry to two Ce4+ atoms.