Crystal Structures of Cadmium Phosphidechlorides Cd7P4Cl6and Cd4P2Cl3

Synthesis, Structure, and Properties of [Hg6P4](TiCl6)Cl: The Problem of Host–Guest Interactions

“…For example, in di!erent crystalline modi"cations of TiCl the Ti}Cl separations cover the range from 2.33 to 2.50 A > (22). The shortest host}guest distances, i.e., the Hg}Cl(1) and Hg}Cl (2) (5). While the "rst seven compounds are full analogues of [Hg P ](TiCl )Cl, the last two have certain structural di!erences from the title compound.…”

Structural Features and HER activity of Cadmium Phosphohalides

“…For example, Shevelkov et al. obtained a mixture in an attempt to synthesize Cd 7 P 4 Cl 6 . A reaction temperature of 350 °C results almost entirely in the formation of Cd 3 PCl 3 (orthorhombic; space group Pmna , a =13.0, b =7.95, and c =7.0 Å) with small amounts of the hexagonal phase.…”

Structural Features and HER activity of Cadmium Phosphohalides

“…There is negligible change in the band gap with X, as in the case of Cd 4 P 2 X 3 . [6] Thes tructure of Cd 2 P 3 Cl consists of polyanionic Pa toms forming az igzag chain running along the c axis ( Figure 2a)a nd two Cd atoms bridging the neighboring zigzag chains (P) n (Figure 2b). [6] Thes tructure of Cd 2 P 3 Cl consists of polyanionic Pa toms forming az igzag chain running along the c axis ( Figure 2a)a nd two Cd atoms bridging the neighboring zigzag chains (P) n (Figure 2b).…”

“…The pure forms of some of these ternary compounds are not reported in the literature.F or example,S hevelkov et al obtained amixture in an attempt to synthesize Cd 7 P 4 Cl 6 . [6] A reaction temperature of 350 8 8Cr esults almost entirely in the formation of Cd 3 PCl 3 (orthorhombic;space group Pmna, a = 13.0, b = 7.95, and c = 7.0 )w ith small amounts of the hexagonal phase.Anincrease of the reaction temperature to 400 8 8Cg ives rise to Cd 7 P 4 Cl 6 as the main product along with small proportions of orthorhombic Cd 3 PCl 3 ( Figure S2). Pure Cd 7 P 4 Cl 6 (cubic; Pa " 3, a = 11.93 )i so btained at at emperature of 450 8 8Cand pure Cd 4 P 2 Cl 3 (cubic; Pa " 3, a = 12.13 )at 500 8 8C.…”

“…[8] We will now discuss the structural aspects and electronic properties,a srevealed by first-principles calculations.T he structures of Cd 4 P 2 Cl 3 and Cd 7 P 4 Cl 6 obtained from the calculations agree well with the experimental ones (Figures S8 and S9). [6] Thes tructure of Cd 2 P 3 Cl consists of polyanionic Pa toms forming az igzag chain running along the c axis ( Figure 2a)a nd two Cd atoms bridging the neighboring zigzag chains (P) n (Figure 2b). In the zigzag chain of Patoms, P À Pb ond lengths are 2.21 and P À P À bond angles are 103.28 8,and this P 3 6À unit is connected to another unit by aPÀP bond of 2.20 and an angle of 98.88 8.E ach PÀPp air is connected to 4Cdand 2Patoms (Figure S10 a).…”