TY - JOUR
T1 - REAu2In4 (RE = La, Ce, Pr, Nd)
T2 - Polyindides from liquid indium
AU - Salvador, James R.
AU - Hoang, Khang
AU - Mahanti, S. D.
AU - Kanatzidis, Mercouri G.
PY - 2007/8/20
Y1 - 2007/8/20
N2 - The series of compounds REAu2In4 (RE = La, Ce, Pr, Nd) crystallize from excess In as rod-shaped single crystals. All members adopt the orthorhombic space group Pnma with a = 18.506(2) Å, b = 4.6865(6) Å, and c = 7.3414(9) Å for LaAu2In4, a = 18.514(3) Å, b = 4.6624(8) Å, and c = 7.389(1) Å for CeAu 2In4, a = 18.420(4) Å, b = 4.6202(9) Å, and c = 7.376(2) Å for the Pr analogue, and a = 18.406(2) Å, b = 4.6114(5) Å, and c = 7.4073(7) Å for NdAu2In4. The REAu2In4 series can be regarded as polar intermetallic phases composed of a complex [Au2In4]3- polyanion network in which the rare-earth ions are embedded. The [Au 2In4]3- network features In tetramer units, which defines the compounds as polyindides. Magnetic measurements found no magnetic ordering down to 2 K for any of the compounds. In addition, LaAu 2In4 was found to be Pauli paramagnetic with a small susceptibility. Ab initio density functional methods were used to carry out electronic structure calculations to explore the bonding, the role of gold, and the contributions of different atoms to the density of states near the Fermi energy. We find that the density of states decreases slowly near Ef and reaches a minimum at about 0.5 eV above Ef.
AB - The series of compounds REAu2In4 (RE = La, Ce, Pr, Nd) crystallize from excess In as rod-shaped single crystals. All members adopt the orthorhombic space group Pnma with a = 18.506(2) Å, b = 4.6865(6) Å, and c = 7.3414(9) Å for LaAu2In4, a = 18.514(3) Å, b = 4.6624(8) Å, and c = 7.389(1) Å for CeAu 2In4, a = 18.420(4) Å, b = 4.6202(9) Å, and c = 7.376(2) Å for the Pr analogue, and a = 18.406(2) Å, b = 4.6114(5) Å, and c = 7.4073(7) Å for NdAu2In4. The REAu2In4 series can be regarded as polar intermetallic phases composed of a complex [Au2In4]3- polyanion network in which the rare-earth ions are embedded. The [Au 2In4]3- network features In tetramer units, which defines the compounds as polyindides. Magnetic measurements found no magnetic ordering down to 2 K for any of the compounds. In addition, LaAu 2In4 was found to be Pauli paramagnetic with a small susceptibility. Ab initio density functional methods were used to carry out electronic structure calculations to explore the bonding, the role of gold, and the contributions of different atoms to the density of states near the Fermi energy. We find that the density of states decreases slowly near Ef and reaches a minimum at about 0.5 eV above Ef.
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U2 - 10.1021/ic700633b
DO - 10.1021/ic700633b
M3 - Article
C2 - 17655293
AN - SCOPUS:34548260280
SN - 0020-1669
VL - 46
SP - 6933
EP - 6941
JO - Inorganic chemistry
JF - Inorganic chemistry
IS - 17
ER -