# TITLE *-Nb-[IM3-M] Nadler, M.R.;Kempter, C.P.[1959] # CELL 3.306810 3.306810 3.306810 90.000000 90.000000 90.000000 # SPCGRP I M 3 M CUBIC STRUCTURE # ATOM NB 1 0.000000 0.000000 0.000000 # SCATTERING FACTOR COEFFICIENTS: NB F= 0.705 CM-12 # Reference: Analytical Chemistry (1959) 31, 1922-1923 # # Physical parameters: # sigma_coh 8.57 coherent scattering cross section (single atom) in [barn] # sigma_inc 0.0024 incoherent scattering cross section (single atom) in [barn] # sigma_abs 1.15 absorption scattering cross section (single atom) in [barn] # density 7.87 in [g/cm^3] # weight 92.90 in [g/mol] (single atom) # multiplicity 2 in [atoms/unit cell] # Vc 36.14 volume of unit cell in [A^3] # v_sound 3480 in [m/s] # T_m 2750 melting temperature in [K] # T_b 5017 boiling temperature in [K] # At_number 41 atomic number Z # lattice_a 3.30681 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 12.35 24.69 2.3383 0.1829 45.72 1 1 0 1000.0 1.3 1.35 0.00 0.00 12 22.39 2 0 0 17.60 35.20 1.6534 0.3658 91.45 2 0 0 233.8 1.3 1.29 0.00 0.00 6 11.47 2 1 1 21.74 43.48 1.3500 0.5487 137.17 2 1 1 583.9 1.2 1.23 0.00 0.00 24 7.85 2 2 0 25.32 50.64 1.1691 0.7316 182.90 2 2 0 205.3 1.2 1.17 0.00 0.00 12 6.05 3 1 0 28.56 57.13 1.0457 0.9145 228.62 3 1 0 308.6 1.1 1.12 0.00 0.00 24 4.98 2 2 2 31.59 63.17 0.9546 1.0974 274.35 2 2 2 80.7 1.1 1.07 0.00 0.00 8 4.28 3 2 1 34.45 68.91 0.8838 1.2803 320.07 3 2 1 391.1 1.0 1.02 0.00 0.00 48 3.79 4 0 0 37.22 74.43 0.8267 1.4632 365.80 4 0 0 40.4 1.0 0.98 0.00 0.00 6 3.43 3 3 0 39.90 79.81 0.7794 1.6461 411.52 3 3 0 68.1 0.9 0.93 0.00 0.00 12 3.17 4 1 1 39.90 79.81 0.7794 1.6461 411.52 4 1 1 136.2 0.9 0.93 0.00 0.00 24 3.17 4 2 0 42.55 85.09 0.7394 1.8290 457.25 4 2 0 116.4 0.9 0.89 0.00 0.00 24 2.97 3 3 2 45.17 90.34 0.7050 2.0119 502.97 3 3 2 101.0 0.9 0.85 0.00 0.00 24 2.82 4 2 2 47.79 95.59 0.6750 2.1948 548.70 4 2 2 88.6 0.8 0.81 0.00 0.00 24 2.71 4 3 1 50.44 100.89 0.6485 2.3777 594.42 4 3 1 157.5 0.8 0.78 0.00 0.00 48 2.64 5 1 0 50.44 100.89 0.6485 2.3777 594.42 5 1 0 78.8 0.8 0.78 0.00 0.00 24 2.64 5 2 1 55.91 111.82 0.6037 2.7435 685.87 5 2 1 129.2 0.7 0.71 0.00 0.00 48 2.60 4 4 0 58.80 117.59 0.5846 2.9264 731.60 4 4 0 29.9 0.7 0.68 0.00 0.00 12 2.64 5 3 0 61.84 123.69 0.5671 3.1093 777.32 5 3 0 56.4 0.6 0.65 0.00 0.00 24 2.73 4 3 3 61.84 123.69 0.5671 3.1093 777.32 4 3 3 56.4 0.6 0.65 0.00 0.00 24 2.73 4 4 2 65.12 130.25 0.5511 3.2922 823.05 4 4 2 54.5 0.6 0.62 0.00 0.00 24 2.89 6 0 0 65.12 130.25 0.5511 3.2922 823.05 6 0 0 13.6 0.6 0.62 0.00 0.00 6 2.89 6 1 1 68.76 137.52 0.5364 3.4751 868.77 6 1 1 54.7 0.6 0.59 0.00 0.00 24 3.18 5 3 2 68.76 137.52 0.5364 3.4751 868.77 5 3 2 109.5 0.6 0.59 0.00 0.00 48 3.18 6 2 0 73.00 146.00 0.5229 3.6580 914.50 6 2 0 58.8 0.6 0.57 0.00 0.00 24 3.74 5 4 1 78.50 156.99 0.5103 3.8409 960.22 5 4 1 149.8 0.5 0.54 0.00 0.00 48 5.22