# TITLE *-V-[IM3-M] James, W.J.;Straumanis, M.E.[1960] # CELL 3.024100 3.024100 3.024100 90.000000 90.000000 90.000000 # SPCGRP I M 3 M CUBIC STRUCTURE # ATOM V 1 0.000000 0.000000 0.000000 # SCATTERING FACTOR COEFFICIENTS: V F=-0.040 CM-12 # Reference: Journal of the Electrochemical Society (1960) 107, 69-69 # # Physical parameters: # sigma_coh 0.0184 coherent scattering cross section (single atom) in [barn] # sigma_inc 4.935 incoherent scattering cross section (single atom) in [barn] # sigma_abs 5.08 absorption scattering cross section (single atom) in [barn] # density 6.11 in [g/cm^3] # weight 50.94 in [g/mol] (single atom) # multiplicity 2 in [atoms/unit cell] # Vc 27.66 volume of unit cell in [A^3] # v_sound 4560 in [m/s] # T_m 2183 melting temperature in [K] # T_b 3680 boiling temperature in [K] # At_number 23 atomic number Z # lattice_a 3.0241 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 0 13.52 27.04 2.1384 0.2187 54.67 1 1 0 1000.0 0.1 -0.08 0.00 180.00 12 18.81 2 0 0 19.31 38.62 1.5121 0.4374 109.35 2 0 0 230.9 0.1 -0.07 0.00 180.00 6 9.69 2 1 1 23.89 47.78 1.2346 0.6561 164.02 2 1 1 569.7 0.1 -0.07 0.00 180.00 24 6.67 2 2 0 27.88 55.76 1.0692 0.8748 218.69 2 2 0 198.1 0.1 -0.06 0.00 180.00 12 5.17 3 1 0 31.52 63.05 0.9563 1.0935 273.37 3 1 0 294.6 0.1 -0.06 0.00 180.00 24 4.29 2 2 2 34.94 69.88 0.8730 1.3122 328.04 2 2 2 76.3 0.1 -0.06 0.00 180.00 8 3.72 3 2 1 38.22 76.43 0.8082 1.5309 382.72 3 2 1 366.9 0.1 -0.05 0.00 180.00 48 3.33 4 0 0 41.40 82.81 0.7560 1.7496 437.39 4 0 0 37.7 0.1 -0.05 0.00 180.00 6 3.05 3 3 0 44.55 89.09 0.7128 1.9682 492.06 3 3 0 63.2 0.0 -0.05 0.00 180.00 12 2.85 4 1 1 44.55 89.09 0.7128 1.9682 492.06 4 1 1 126.4 0.0 -0.05 0.00 180.00 24 2.85 4 2 0 47.68 95.36 0.6762 2.1869 546.74 4 2 0 108.0 0.0 -0.05 0.00 180.00 24 2.72 3 3 2 50.85 101.70 0.6447 2.4056 601.41 3 3 2 93.8 0.0 -0.04 0.00 180.00 24 2.63 4 2 2 54.09 108.19 0.6173 2.6243 656.08 4 2 2 83.0 0.0 -0.04 0.00 180.00 24 2.60 4 3 1 57.47 114.93 0.5931 2.8430 710.76 4 3 1 149.8 0.0 -0.04 0.00 180.00 48 2.62 5 1 0 57.47 114.93 0.5931 2.8430 710.76 5 1 0 74.9 0.0 -0.04 0.00 180.00 24 2.62 5 2 1 64.90 129.81 0.5521 3.2804 820.10 5 2 1 132.3 0.0 -0.04 0.00 180.00 48 2.87 4 4 0 69.28 138.55 0.5346 3.4991 874.78 4 4 0 33.3 0.0 -0.03 0.00 180.00 12 3.23 5 3 0 74.60 149.19 0.5186 3.7178 929.45 5 3 0 74.9 0.0 -0.03 0.00 180.00 24 4.05 4 3 3 74.60 149.19 0.5186 3.7178 929.45 4 3 3 74.9 0.0 -0.03 0.00 180.00 24 4.05 4 4 2 82.76 165.52 0.5040 3.9365 984.12 4 4 2 133.6 0.0 -0.03 0.00 180.00 24 8.06 6 0 0 82.76 165.52 0.5040 3.9365 984.12 6 0 0 33.4 0.0 -0.03 0.00 180.00 6 8.06