Table 1 Lattice spacings d and corresponding hkl indices attributed and those based on the diffraction patterns given in refs. 5,10 and in the present work to the fcc-carbon

From: Face-centered cubic carbon as a fourth basic carbon allotrope with properties of intrinsic semiconductors and ultra-wide bandgap

hkl

dexp (Å) from ref. 10

dcalc (Å) adopted from ref. 10 at a0 = 3.563 Å

d (Å) from ref. 5

d (Å) from the present work

111

2.067

2.057

2.06

2.058a/2.076 ± 0.005b/2.05017c

200d

1.791

1.781

1.78

1.786a/1.787 ± 0.0015b/1.77550c

220

1.261

1.260

1.26

1.266a/1.257 ± 0.0008b/1.25546c

311

1.078

1.074

1.07

1.074a

222d

1.032

1.029

1.04

1.030a/1.0298 ± 0.005b/1.02508c

400

0.892

0.891

0.896

0.893a/0.891 ± 0.0015b/0.88775c

331

0.817

0.817

0.818

0.812a/−/1.07066c

420d

0.796

0.797

0.796

0.783a

422

0.727

0.727

0.726

0.720a

331/511

0.686

0.686

0.683

0.680a

440

0.630

0.630

-

0.630a

531

0.601

0.602

-

0.550a

  1. aBased on the electron diffraction pattern shown in Fig. 1a.
  2. bBased on the XRD results (Fig. 1b–d).
  3. cBased on the ab initio calculations (simulated from the charge density of fcc-carbon).
  4. dReflexes forbidden for the diamond crystal lattice.