Synthesis, Crystal Structure and Electrical Properties of the Molybdenum Oxide Na_{𝟏.𝟗𝟐}Mg_{𝟐.𝟎𝟒}Mo_𝟑O_𝟏𝟐

Table 1

Crystal data and structure refinement details for Na_1.92Mg_2.04Mo₃O₁₂.

Empirical formula	Na1.92Mg2.04Mo3O12
Formula weight (g/mol)	573.55
Crystal system, space group	Triclinic, P-1
𝑎 (Å)	6.9660(7)
𝑏 (Å)	8.6352(8)
𝑐 (Å)	10.2501(8)
𝛼 (°)	106.938(1)
𝛽 (°)	104.825(1)
𝛾 (°)	103.206(1)
𝑉 (Å^3)	538.72(9)
𝑍	2
𝜇 (mm^−1)	3.69
𝐷𝑥 (g·cm^−3)	3.536
𝐹(000)	535
Crystal size (mm)	0.28×0.18×0.14
Crystal habit	Colourless prism
𝑇min/𝑇max	0.4244/0.6258
Measured reflections	3666
Independent reflections	2338
Observed refl. with 𝐼>2𝜎(𝐼)	2211
𝑅int	0.021
Data/restraints/parameters	2338/1/184
𝑅[𝐹^2>2𝜎(𝐹^2)]	0.022
𝑤𝑅(𝐹^2)	0.058
GooF = 𝑆	1.16
Δ𝜌max/Δ𝜌min (e·Å^−3)	0.78/−0.84