Figure 3: Carbon patterns in the Ca-C system. | Nature Communications

Figure 3: Carbon patterns in the Ca-C system.

From: Investigation of exotic stable calcium carbides using theory and experiment

Figure 3

(a) The isolated carbon anions in the Pnma structure of Ca2C. (b) Carbon dimers observed in the C2/m structure of Ca2C, P4/mbm and C2/c structures of Ca3C2, Immm structure of CaC, and C2/m or C2/c structures of CaC2. (c) The carbon trimer occurs in the C2/m structure of Ca2C3 at zero pressure. (d) Zigzag C4 groups observed in P21/c structure of CaC at 20 GPa. (e) Zigzag carbon chains in the Imma structure of CaC at 58 GPa. (f) Carbon chains with two types of carbon-carbon bondings in C2/c structure of Ca2C3 at 34.5 GPa. (g) Carbon chains with four types of carbon-carbon bongdings in P-1 structure of Ca2C3 at 40 GPa. (h) Armchair carbon chains in the Cmcm structure of CaC2 at 4 GPa. (i) Carbon stripes in the P-1 structure of CaC2 at 20 GPa. (j) Carbon ribbons in the Immm structure of CaC2 at 10 GPa. (k) Carbon ribbons in the Imma structure of Ca2C3 at 65 GPa. Bond lengths (in Å) are given. The inequivalent C1, C2, C3, and C4 (occupying different Wyckoff positions in the unit cell, see Supplementary Table 1) are shown by red, blue, yellow, and grey spheres, respectively.

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