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. 2019 Sep 17;9(50):29448–29455. doi: 10.1039/c9ra07144j

Lattice energies at 0 K (kJ mol−1).

Compound P21/m Pmn21 Pbcm
[H 2 GaNH 2 ] 3
E(crystal) −31 222 293.41 −31 222 290.63 −62 444 488.70
Z 2 2 4
E(Cs) −15 610 951.15 −15 610 951.15 −15 610 951.15
E(BSSE) 42.06 42.52 36.24
E(lattice) 153.49 151.65 134.79
[H 2 GeCH 2 ] 3
E(crystal) −33 356 028.40 −33 356 025.40 −66 711 984.15
Z 2 2 4
E(Cs) −16 677 867.31 −16 677 867.31 −16 677 867.31
E(BSSE) 64.7 60.52 60.11
E(lattice) 82.19 84.87 68.62
[H 2 BNH 2 ] 3
E(crystal) −1292 625.17 −1292 624.28 −2585 245.45
Z 2 2 4
E(Cs) −646157.94 −646157.94 −646157.94
E(BSSE) 36.33 35.91 32.66
E(lattice) 118.32 118.29 120.77