# TITLE *-Ge-[FD3-MS] Cooper, A.S.[1983] [irritant] # CELL 5.657906 5.657906 5.657906 90.000000 90.000000 90.000000 # SPCGRP F D 3 M CUBIC STRUCTURE # ATOM GE 1 0.000000 0.000000 0.000000 # SCATTERING FACTOR COEFFICIENTS: GE F= 0.819 CM-12 # Reference: Physical Review, Serie 3. B - Condensed Matter (1994) 50, 14947-14951 # # Physical parameters: # sigma_coh 8.42 coherent scattering cross section (single atom) in [barn] # sigma_inc 0.18 incoherent scattering cross section (single atom) in [barn] # sigma_abs 2.2 absorption scattering cross section (single atom) in [barn] # density 5.323 in [g/cm^3] # weight 72.64 in [g/mol] (single atom) # multiplicity 8 in [atoms/unit cell] # Vc 181.12 volume of unit cell in [A^3] # v_sound 5400 in [m/s] # T_m 1211.4 melting temperature in [K] # T_b 3093 boiling temperature in [K] # At_number 32 atomic number Z # lattice_a 5.657906 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 8.81 17.61 3.2659 0.0938 23.44 1 1 1 1000.0 6.4 -6.40 0.00 180.00 8 43.17 2 2 0 14.48 28.96 2.0000 0.2500 62.50 2 2 0 0.0 0.0 0.00 0.00 0.00 12 16.52 3 1 1 17.05 34.09 1.7056 0.3438 85.94 3 1 1 746.3 6.0 6.01 0.00 0.00 24 12.17 2 2 2 17.83 35.66 1.6330 0.3750 93.75 2 2 2 901.9 11.9 11.93 0.00 0.00 8 11.20 4 0 0 20.71 41.41 1.4142 0.5000 125.00 4 0 0 485.0 11.6 11.56 0.00 0.00 6 8.55 3 3 1 22.66 45.32 1.2977 0.5938 148.44 3 3 1 395.1 5.6 5.65 0.00 0.00 24 7.30 4 2 2 25.66 51.32 1.1547 0.7500 187.51 4 2 2 0.0 0.0 0.00 0.00 0.00 24 5.92 5 1 1 27.34 54.68 1.0886 0.8438 210.95 5 1 1 254.9 5.3 -5.31 0.00 180.00 24 5.34 3 3 3 27.34 54.68 1.0886 0.8438 210.95 3 3 3 85.0 5.3 -5.31 0.00 180.00 8 5.34 4 4 0 30.00 60.00 1.0000 1.0000 250.01 4 4 0 408.0 10.2 10.21 0.00 0.00 12 4.62 5 3 1 31.53 63.06 0.9562 1.0938 273.45 5 3 1 361.6 5.0 4.98 0.00 0.00 48 4.29 4 4 2 32.03 64.06 0.9428 1.1250 281.26 4 4 2 0.0 0.0 0.00 0.00 0.00 24 4.19 6 2 0 33.99 67.98 0.8944 1.2500 312.51 6 2 0 0.0 0.0 0.00 0.00 0.00 24 3.86 5 3 3 35.42 70.85 0.8626 1.3438 335.95 5 3 3 135.9 4.7 4.68 0.00 0.00 24 3.65 6 2 2 35.90 71.79 0.8528 1.3751 343.76 6 2 2 525.9 9.3 9.29 0.00 0.00 24 3.59 4 4 4 37.76 75.52 0.8165 1.5001 375.01 4 4 4 154.7 9.0 9.01 0.00 0.00 8 3.37 5 5 1 39.14 78.28 0.7921 1.5938 398.45 5 5 1 106.2 4.4 -4.40 0.00 180.00 24 3.24 7 1 1 39.14 78.28 0.7921 1.5938 398.45 7 1 1 106.2 4.4 4.40 0.00 0.00 24 3.24 6 4 2 41.41 82.82 0.7559 1.7501 437.52 6 4 2 0.0 0.0 0.00 0.00 0.00 48 3.05 5 5 3 42.76 85.52 0.7364 1.8438 460.95 5 5 3 85.6 4.1 4.13 0.00 0.00 24 2.95 7 3 1 42.76 85.52 0.7364 1.8438 460.95 7 3 1 171.2 4.1 4.13 0.00 0.00 48 2.95 8 0 0 45.00 90.00 0.7071 2.0001 500.02 8 0 0 75.8 7.9 7.95 0.00 0.00 6 2.83 7 3 3 46.34 92.69 0.6911 2.0938 523.46 7 3 3 70.7 3.9 -3.88 0.00 180.00 24 2.77 6 4 4 46.79 93.59 0.6860 2.1251 531.27 6 4 4 0.0 0.0 0.00 0.00 0.00 24 2.75 6 6 0 48.59 97.18 0.6667 2.2501 562.52 6 6 0 0.0 0.0 0.00 0.00 0.00 12 2.69 8 2 2 48.59 97.18 0.6667 2.2501 562.52 8 2 2 0.0 0.0 0.00 0.00 0.00 24 2.69 7 5 1 49.95 99.90 0.6532 2.3438 585.96 7 5 1 119.7 3.6 3.65 0.00 0.00 48 2.65 5 5 5 49.95 99.90 0.6532 2.3438 585.96 5 5 5 19.9 3.6 -3.65 0.00 180.00 8 2.65 6 6 2 50.40 100.81 0.6489 2.3751 593.77 6 6 2 234.7 7.2 7.24 0.00 0.00 24 2.64 8 4 0 52.24 104.48 0.6324 2.5001 625.02 8 4 0 218.0 7.0 7.01 0.00 0.00 24 2.61 7 5 3 53.64 107.27 0.6209 2.5938 648.46 7 5 3 103.6 3.4 3.43 0.00 0.00 48 2.60 9 1 1 53.64 107.27 0.6209 2.5938 648.46 9 1 1 51.8 3.4 -3.43 0.00 180.00 24 2.60 8 4 2 54.11 108.21 0.6172 2.6251 656.27 8 4 2 0.0 0.0 0.00 0.00 0.00 48 2.60 6 6 4 56.01 112.03 0.6030 2.7501 687.53 6 6 4 0.0 0.0 0.00 0.00 0.00 24 2.60 9 3 1 57.48 114.96 0.5930 2.8439 710.96 9 3 1 91.9 3.2 3.22 0.00 0.00 48 2.62 8 4 4 60.00 120.00 0.5773 3.0001 750.03 8 4 4 173.3 6.2 6.19 0.00 0.00 24 2.67 9 3 3 61.58 123.16 0.5685 3.0939 773.47 9 3 3 42.1 3.0 3.02 0.00 0.00 24 2.72 7 7 1 61.58 123.16 0.5685 3.0939 773.47 7 7 1 42.1 3.0 3.02 0.00 0.00 24 2.72 7 5 5 61.58 123.16 0.5685 3.0939 773.47 7 5 5 42.1 3.0 3.02 0.00 0.00 24 2.72 10 2 0 64.34 128.69 0.5547 3.2501 812.53 10 2 0 0.0 0.0 0.00 0.00 0.00 24 2.84 8 6 2 64.34 128.69 0.5547 3.2501 812.53 8 6 2 0.0 0.0 0.00 0.00 0.00 48 2.84 9 5 1 66.11 132.22 0.5469 3.3439 835.97 9 5 1 80.8 2.8 -2.84 0.00 180.00 48 2.95 7 7 3 66.11 132.22 0.5469 3.3439 835.97 7 7 3 40.4 2.8 -2.84 0.00 180.00 24 2.95 10 2 2 66.72 133.44 0.5443 3.3751 843.78 10 2 2 161.6 5.6 5.64 0.00 0.00 24 3.00 6 6 6 66.72 133.44 0.5443 3.3751 843.78 6 6 6 53.9 5.6 5.64 0.00 0.00 8 3.00 9 5 3 71.42 142.84 0.5275 3.5939 898.47 9 5 3 84.3 2.7 2.67 0.00 0.00 48 3.49 8 6 4 72.17 144.35 0.5252 3.6251 906.28 8 6 4 0.0 0.0 0.00 0.00 0.00 48 3.60 10 4 2 75.53 151.05 0.5164 3.7501 937.53 10 4 2 0.0 0.0 0.00 0.00 0.00 48 4.27 7 7 5 78.61 157.21 0.5101 3.8439 960.97 7 7 5 56.1 2.5 2.51 0.00 0.00 24 5.27 11 1 1 78.61 157.21 0.5101 3.8439 960.97 11 1 1 56.1 2.5 2.51 0.00 0.00 24 5.27