Synthesis, Crystal Structure, and Electrical Properties of a New Molybdylarsenate LiNa₅K₃Mo₁₁As₃O₄₅

Table 1

Crystal data and the refinements details.

Empirical formula	LiNa5K3Mo11As3O45
Crystal system/space group/𝑍	Triclinic/P-1/2
𝑎 (Å)	10.550(2)
𝑏 (Å)	11.723(2)
𝑐 (Å)	17.469(3)
α (°)	102.35(3)
β (°)	87.61(2)
γ (°)	111.03(3)
𝑉 (Å^3) 𝑍	1986.46(2)
μ (mm^−1)	6.39
𝜌𝑥 (g·cm^−3)/formula weight (g/mol)	3.78/2247.34
Crystal size (mm)/Color	0.2 × 0.3 × 0.5/yellow
Tmin/Tmax	0.7026/0.8745
Measured reflections	9789
Independent reflections/rint	8557/0.0157
Observed refl. with 𝐼 > 2σ(𝐼)	7730
Data/restraints/parameters	8557/2/619
𝑅[𝐹^2 > 2σ(𝐹^2)]	0.028
𝑤𝑅(𝐹^2)/𝑆/𝐹(000)	0.071/1.22/2072
Δρmax/Δρmin (e·Å^−3)	1.56/−1.39