# TITLE *Griceite-LiF-[FM3-M] Cortona, P.[1992] [griceite, toxic] # CELL 4.050000 4.050000 4.050000 90.000000 90.000000 90.000000 # SPCGRP F M 3 M CUBIC STRUCTURE # ATOM LI 1 0.000000 0.000000 0.000000 # ATOM F 1 0.500000 0.500000 0.500000 # SCATTERING FACTOR COEFFICIENTS:LI F=-0.190 CM-12 ; F F= 0.565 CM-12 # Reference: Physical Review, Serie 3. B - Condensed Matter (1992) 46, 2008-2014 # # Physical parameters: # sigma_coh 4.46 coherent scattering cross section in [barn] # sigma_inc 0.921 incoherent scattering cross section in [barn] # sigma_abs 70.51 absorption scattering cross section in [barn] # density 2.60 in [g/cm^3] # weight 25.94 in [g/mol] # nb_atoms 8 in [atoms/unit cell] # T_m 1140 melting temperature in [K] # T_b 1949 boiling temperature in [K] # lattice_a 4.0500 lattice parameter a in [Angs] # # Format parameters: Lazy format # column_j 17 multiplicity 'j' # column_d 6 d-spacing 'd' in [Angs] # column_F 13 norm of scattering factor |F| in [barn^0.5] # column_h 1 # column_k 2 # column_l 3 # # H K L THETA 2THETA D VALUE 1/D**2 SIN2*1000 H K L INTENSITY /F(HKL)/ A(HKL) B(HKL) PHA.ANG. MULT LPG 1 1 1 12.35 24.69 2.3383 0.1829 45.72 1 1 1 1000.0 2.9 -2.89 0.00 180.00 8 22.39 2 0 0 14.29 28.59 2.0250 0.2439 60.97 2 0 0 135.7 1.4 1.41 0.00 0.00 6 16.93 2 2 0 20.44 40.88 1.4319 0.4877 121.93 2 2 0 124.2 1.3 1.33 0.00 0.00 12 8.75 3 1 1 24.17 48.34 1.2211 0.6706 167.66 3 1 1 686.5 2.6 -2.55 0.00 180.00 24 6.54 2 2 2 25.32 50.64 1.1691 0.7316 182.90 2 2 2 50.7 1.2 1.25 0.00 0.00 8 6.05 4 0 0 29.59 59.18 1.0125 0.9755 243.87 4 0 0 26.2 1.2 1.18 0.00 0.00 6 4.72 3 3 1 32.56 65.11 0.9291 1.1584 289.59 3 3 1 337.1 2.3 -2.26 0.00 180.00 24 4.10 4 2 0 33.51 67.02 0.9056 1.2193 304.83 4 2 0 77.5 1.1 1.11 0.00 0.00 24 3.93 4 2 2 37.22 74.43 0.8267 1.4632 365.80 4 2 2 59.8 1.0 1.04 0.00 0.00 24 3.43 5 1 1 39.90 79.81 0.7794 1.6461 411.52 5 1 1 204.2 2.0 -2.00 0.00 180.00 24 3.17 3 3 3 39.90 79.81 0.7794 1.6461 411.52 3 3 3 68.1 2.0 -2.00 0.00 180.00 8 3.17 4 4 0 44.30 88.59 0.7159 1.9509 487.73 4 4 0 19.6 0.9 0.92 0.00 0.00 12 2.86 5 3 1 46.92 93.84 0.6846 2.1338 533.46 5 3 1 277.3 1.8 -1.77 0.00 180.00 48 2.74 4 4 2 47.79 95.59 0.6750 2.1948 548.70 4 4 2 32.8 0.9 0.87 0.00 0.00 24 2.71 6 0 0 47.79 95.59 0.6750 2.1948 548.70 6 0 0 8.2 0.9 0.87 0.00 0.00 6 2.71 6 2 0 51.33 102.67 0.6404 2.4387 609.66 6 2 0 28.1 0.8 0.82 0.00 0.00 24 2.63 5 3 3 54.05 108.11 0.6176 2.6216 655.39 5 3 3 102.9 1.6 -1.57 0.00 180.00 24 2.60 6 2 2 54.98 109.95 0.6106 2.6825 670.63 6 2 2 24.6 0.8 0.77 0.00 0.00 24 2.60 4 4 4 58.80 117.59 0.5846 2.9264 731.60 4 4 4 7.4 0.7 0.72 0.00 0.00 8 2.64 5 5 1 61.84 123.69 0.5671 3.1093 777.32 5 5 1 84.6 1.4 -1.39 0.00 180.00 24 2.73 7 1 1 61.84 123.69 0.5671 3.1093 777.32 7 1 1 84.6 1.4 -1.39 0.00 180.00 24 2.73 6 4 0 62.91 125.81 0.5616 3.1702 792.56 6 4 0 20.6 0.7 0.68 0.00 0.00 24 2.77 6 4 2 67.50 135.00 0.5412 3.4141 853.53 6 4 2 40.2 0.6 0.64 0.00 0.00 48 3.06 5 5 3 71.49 142.99 0.5273 3.5970 899.25 5 5 3 85.2 1.2 -1.23 0.00 180.00 24 3.50 7 3 1 71.49 142.99 0.5273 3.5970 899.25 7 3 1 170.3 1.2 -1.23 0.00 180.00 48 3.50 8 0 0 80.99 161.98 0.5063 3.9018 975.46 8 0 0 8.4 0.6 0.57 0.00 0.00 6 6.54