Materials Data on NaSmF4 by Materials Project
NaSmF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Na–F bond distances ranging from 2.27–2.58 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Na–F bond distances ranging from 2.27–2.46 Å. In the third Na1+ site, Na1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Na–F bond distances ranging from 2.37–2.65 Å. There are three inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sm–F bond distances ranging from 2.34–2.44 Å. In the second Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sm–F bond distances ranging from 2.35–2.47 Å. In the third Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sm–F bond distances ranging from 2.38–2.42 Å. There are twelve inequivalent F1- sites. In the first F1- site, F1- is bonded to two Na1+ and two Sm3+ atoms to form a mixture of distorted corner and edge-sharing FNa2Sm2 tetrahedra. In the second F1- site, F1- is bonded to two Na1+ and two Sm3+ atoms to form a mixture of distorted corner and edge-sharing FNa2Sm2 tetrahedra. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two Na1+ and two Sm3+ atoms. In the fourth F1- site, F1- is bonded to two Na1+ and two Sm3+ atoms to form a mixture of distorted corner and edge-sharing FNa2Sm2 tetrahedra. In the fifth F1- site, F1- is bonded to two Na1+ and two Sm3+ atoms to form a mixture of distorted corner and edge-sharing FNa2Sm2 tetrahedra. In the sixth F1- site, F1- is bonded to two Na1+ and two Sm3+ atoms to form a mixture of distorted corner and edge-sharing FNa2Sm2 tetrahedra. In the seventh F1- site, F1- is bonded to two Na1+ and two Sm3+ atoms to form a mixture of distorted corner and edge-sharing FNa2Sm2 tetrahedra. In the eighth F1- site, F1- is bonded to one Na1+ and three Sm3+ atoms to form a mixture of distorted corner and edge-sharing FNaSm3 tetrahedra. In the ninth F1- site, F1- is bonded to two Na1+ and two Sm3+ atoms to form a mixture of distorted corner and edge-sharing FNa2Sm2 tetrahedra. In the tenth F1- site, F1- is bonded to one Na1+ and three Sm3+ atoms to form a mixture of distorted corner and edge-sharing FNaSm3 tetrahedra. In the eleventh F1- site, F1- is bonded to one Na1+ and three Sm3+ atoms to form a mixture of distorted corner and edge-sharing FNaSm3 tetrahedra. In the twelfth F1- site, F1- is bonded to two Na1+ and two Sm3+ atoms to form a mixture of distorted corner and edge-sharing FNa2Sm2 tetrahedra.