Phase diagram of the Tl3Tas4-xSex,(0 ⩽ x ⩽ 4) solid solution system

Neutron-diffraction study in TlFeS2 and TlFeSe2 at low temperatures

“…At room temperature they correspond to the mono clinic symmetry C2/m. The unit cell parameters cal culated from the diffraction data under normal condi tions for TlFeS 2 are a = 11.646(1) Å, b = 5.308(2) Å, c = 6.831(3) Å; β = 116.7(4)°; for TlFeSe 2 they are a = 11.998(1) Å, b = 5.498(9) Å, c = 7.108(8) Å, β = 118.2(1)°, which is in good agreement with the results obtained earlier [6,7]. The coordinates of atoms and the interatomic distances are given in the table.…”

“…The tetrahedra are connected to linear chains and are parallel to the base c axis. Under nor mal conditions the unit cell parameters have the val ues a = 11.636 Å, b = 5.304 Å, c = 6.799 Å and β = 116.7° in TlFeS 2 ; in TlFeSe 2 a = 11.973 Å, b = 5.490 Å, c = 7.110 Å and β = 118.2° [6,7].…”

Magnetic structure of TlFeS2 and TlFeSe2 chalcogenides

“…Analysis of the neutron diffraction data showed that the investigated compounds feature a monoclinic crystal structure with the C2/m symmetry over the entire temperature range. The unit cell parameters calculated from the diffraction data under normal conditions are a = 11.646(1) Å, b = 5.308(2) Å, c = 6.831(3) Å, β = 116.7°, Z = 4, and V = 377.14(6) Å 3 for TlFeS 2 and a = 11.998(1) Å, b = 5.498(9) Å, c = 7.108(8) Å, β = 118.2°, Z = 4, and V = 413.22(6) Å 3 for TlFeSe 2 , which are in good agreement with the results reported in [13][14][15][16].…”

Pressure-Induced Metallization and Structural Phase Transition in the Quasi-One-Dimensional TlFeSe2*

“…1, the crystal structure of monoclinic TlFeSe 2 consists of infinite chains of edge-shared FeSe 4 tetrahedra along the 𝑏 axis, and the lattice parameters were reported to be 𝑎 = 12.02 Å, Express Letter 𝑏 = 5.50 Å, 𝑐 = 7.13 Å, and 𝛽 = 118.52 ∘ . [14] It was reported that the monoclinic TlFeSe 2 undergoes a paramagnetic-to-antiferromagnetic transition at 𝑇 N ≈ 290 K, below which the magnetic moments of Fe ions form an antiparallel arrangement along the 𝑏 axis. The ordered magnetic moment of Fe is 2.1𝜇 B at 10 K as determined from neutron diffraction.…”