# TITLE *-Rb-[IM3-M] Barrett, C.S.[1956] [at 298 K] # CELL 5.605000 5.605000 5.605000 90.000000 90.000000 90.000000 # SPCGRP I M 3 M CUBIC STRUCTURE # ATOM RB 1 0.000000 0.000000 0.000000 # SCATTERING FACTOR COEFFICIENTS: RB F= 0.709 CM-12 # Reference: Acta Crystallographica (1956) 9, 671-677 # # Physical parameters: # density 1.532 in [g/cm^3] # weight 85.47 in [g/mol] (single atom) # sigma_abs 0.38 absorption scattering cross section (single atom) in [barn] # sigma_coh 6.32 coherent scattering cross section (single atom) in [barn] # sigma_inc 0.5 incoherent scattering cross section (single atom) in [barn] # v_sound 1300 in [m/s] # multiplicity 2 in [atoms/unit cell] # Vc 176.09 volume of unit cell in [A^3] # T_m 312.46 melting temperature in [K] # T_b 961 boiling temperature in [K] # At_number 37 atomic number Z # lattice_a 5.605 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 7.25 14.50 3.9633 0.0637 15.92 1 1 0 1000.0 1.4 1.40 0.00 0.00 12 63.34 2 0 0 10.28 20.55 2.8025 0.1273 31.83 2 0 0 244.1 1.4 1.37 0.00 0.00 6 31.93 2 1 1 12.62 25.24 2.2882 0.1910 47.75 2 1 1 635.9 1.4 1.35 0.00 0.00 24 21.46 2 2 0 14.61 29.23 1.9817 0.2546 63.66 2 2 0 233.0 1.3 1.33 0.00 0.00 12 16.23 3 1 0 16.39 32.77 1.7725 0.3183 79.58 3 1 0 364.2 1.3 1.31 0.00 0.00 24 13.10 2 2 2 18.00 36.00 1.6180 0.3820 95.49 2 2 2 98.8 1.3 1.29 0.00 0.00 8 11.01 3 2 1 19.50 39.00 1.4980 0.4456 111.41 3 2 1 496.8 1.3 1.27 0.00 0.00 48 9.52 4 0 0 20.91 41.81 1.4013 0.5093 127.32 4 0 0 53.1 1.2 1.25 0.00 0.00 6 8.41 3 3 0 22.24 44.48 1.3211 0.5730 143.24 3 3 0 92.3 1.2 1.23 0.00 0.00 12 7.54 4 1 1 22.24 44.48 1.3211 0.5730 143.24 4 1 1 184.6 1.2 1.23 0.00 0.00 24 7.54 4 2 0 23.51 47.02 1.2533 0.6366 159.15 4 2 0 162.5 1.2 1.21 0.00 0.00 24 6.85 3 3 2 24.73 49.47 1.1950 0.7003 175.07 3 3 2 144.4 1.2 1.19 0.00 0.00 24 6.29 4 2 2 25.91 51.83 1.1441 0.7639 190.99 4 2 2 129.5 1.2 1.17 0.00 0.00 24 5.82 4 3 1 27.06 54.11 1.0992 0.8276 206.90 4 3 1 233.9 1.2 1.15 0.00 0.00 48 5.43 5 1 0 27.06 54.11 1.0992 0.8276 206.90 5 1 0 117.0 1.2 1.15 0.00 0.00 24 5.43 5 2 1 29.25 58.50 1.0233 0.9549 238.73 5 2 1 194.2 1.1 1.12 0.00 0.00 48 4.80 4 4 0 30.31 60.61 0.9908 1.0186 254.65 4 4 0 44.6 1.1 1.10 0.00 0.00 12 4.55 5 3 0 31.34 62.69 0.9612 1.0823 270.56 5 3 0 82.1 1.1 1.08 0.00 0.00 24 4.33 4 3 3 31.34 62.69 0.9612 1.0823 270.56 4 3 3 82.1 1.1 1.08 0.00 0.00 24 4.33 4 4 2 32.36 64.72 0.9342 1.1459 286.48 4 4 2 76.0 1.1 1.06 0.00 0.00 24 4.13 6 0 0 32.36 64.72 0.9342 1.1459 286.48 6 0 0 19.0 1.1 1.06 0.00 0.00 6 4.13 6 1 1 33.36 66.72 0.9093 1.2096 302.39 6 1 1 70.5 1.0 1.05 0.00 0.00 24 3.96 5 3 2 33.36 66.72 0.9093 1.2096 302.39 5 3 2 141.0 1.0 1.05 0.00 0.00 48 3.96 6 2 0 34.35 68.69 0.8862 1.2732 318.31 6 2 0 65.6 1.0 1.03 0.00 0.00 24 3.81 5 4 1 35.32 70.64 0.8649 1.3369 334.22 5 4 1 122.5 1.0 1.02 0.00 0.00 48 3.67 6 2 2 36.28 72.56 0.8450 1.4006 350.14 6 2 2 57.3 1.0 1.00 0.00 0.00 24 3.54 6 3 1 37.23 74.46 0.8264 1.4642 366.06 6 3 1 107.6 1.0 0.98 0.00 0.00 48 3.43 4 4 4 38.17 76.35 0.8090 1.5279 381.97 4 4 4 16.9 1.0 0.97 0.00 0.00 8 3.33 7 1 0 39.11 78.22 0.7927 1.5915 397.89 7 1 0 47.6 1.0 0.95 0.00 0.00 24 3.24 5 4 3 39.11 78.22 0.7927 1.5915 397.89 5 4 3 95.3 1.0 0.95 0.00 0.00 48 3.24 5 5 0 39.11 78.22 0.7927 1.5915 397.89 5 5 0 23.8 1.0 0.95 0.00 0.00 12 3.24 6 4 0 40.04 80.07 0.7773 1.6552 413.80 6 4 0 45.0 0.9 0.94 0.00 0.00 24 3.16 6 3 3 40.96 81.92 0.7627 1.7189 429.72 6 3 3 42.5 0.9 0.92 0.00 0.00 24 3.08 5 5 2 40.96 81.92 0.7627 1.7189 429.72 5 5 2 42.5 0.9 0.92 0.00 0.00 24 3.08 7 2 1 40.96 81.92 0.7627 1.7189 429.72 7 2 1 85.1 0.9 0.92 0.00 0.00 48 3.08 6 4 2 41.88 83.76 0.7490 1.7825 445.63 6 4 2 80.6 0.9 0.91 0.00 0.00 48 3.01 7 3 0 42.79 85.59 0.7360 1.8462 461.55 7 3 0 38.2 0.9 0.89 0.00 0.00 24 2.95 7 3 2 44.62 89.24 0.7118 1.9735 493.38 7 3 2 69.2 0.9 0.87 0.00 0.00 48 2.85 6 5 1 44.62 89.24 0.7118 1.9735 493.38 6 5 1 69.2 0.9 0.87 0.00 0.00 48 2.85 8 0 0 45.53 91.07 0.7006 2.0372 509.29 8 0 0 8.2 0.9 0.85 0.00 0.00 6 2.80 8 1 1 46.45 92.89 0.6899 2.1008 525.21 8 1 1 31.5 0.8 0.84 0.00 0.00 24 2.76 7 4 1 46.45 92.89 0.6899 2.1008 525.21 7 4 1 63.0 0.8 0.84 0.00 0.00 48 2.76 5 5 4 46.45 92.89 0.6899 2.1008 525.21 5 5 4 31.5 0.8 0.84 0.00 0.00 24 2.76 6 4 4 47.36 94.72 0.6797 2.1645 541.13 6 4 4 30.1 0.8 0.83 0.00 0.00 24 2.73 8 2 0 47.36 94.72 0.6797 2.1645 541.13 8 2 0 30.1 0.8 0.83 0.00 0.00 24 2.73 6 5 3 48.28 96.55 0.6699 2.2282 557.04 6 5 3 57.7 0.8 0.81 0.00 0.00 48 2.70 8 2 2 49.20 98.39 0.6606 2.2918 572.96 8 2 2 27.7 0.8 0.80 0.00 0.00 24 2.67 6 6 0 49.20 98.39 0.6606 2.2918 572.96 6 6 0 13.8 0.8 0.80 0.00 0.00 12 2.67 8 3 1 50.12 100.24 0.6516 2.3555 588.87 8 3 1 53.2 0.8 0.79 0.00 0.00 48 2.65 7 4 3 50.12 100.24 0.6516 2.3555 588.87 7 4 3 53.2 0.8 0.79 0.00 0.00 48 2.65 7 5 0 50.12 100.24 0.6516 2.3555 588.87 7 5 0 26.6 0.8 0.79 0.00 0.00 24 2.65 6 6 2 51.05 102.10 0.6429 2.4191 604.79 6 6 2 25.6 0.8 0.77 0.00 0.00 24 2.63 7 5 2 51.98 103.97 0.6346 2.4828 620.70 7 5 2 49.3 0.8 0.76 0.00 0.00 48 2.62 8 4 0 52.93 105.86 0.6267 2.5465 636.62 8 4 0 23.8 0.8 0.75 0.00 0.00 24 2.61 9 1 0 53.88 107.76 0.6190 2.6101 652.53 9 1 0 23.0 0.7 0.74 0.00 0.00 24 2.60 8 3 3 53.88 107.76 0.6190 2.6101 652.53 8 3 3 23.0 0.7 0.74 0.00 0.00 24 2.60 8 4 2 54.84 109.69 0.6116 2.6738 668.45 8 4 2 44.5 0.7 0.73 0.00 0.00 48 2.60 9 2 1 55.82 111.64 0.6044 2.7375 684.36 9 2 1 43.1 0.7 0.72 0.00 0.00 48 2.60 7 6 1 55.82 111.64 0.6044 2.7375 684.36 7 6 1 43.1 0.7 0.72 0.00 0.00 48 2.60 6 5 5 55.82 111.64 0.6044 2.7375 684.36 6 5 5 21.6 0.7 0.72 0.00 0.00 24 2.60 6 6 4 56.81 113.61 0.5975 2.8011 700.28 6 6 4 21.0 0.7 0.70 0.00 0.00 24 2.61 7 5 4 57.81 115.62 0.5908 2.8648 716.19 7 5 4 40.8 0.7 0.69 0.00 0.00 48 2.62 8 5 1 57.81 115.62 0.5908 2.8648 716.19 8 5 1 40.8 0.7 0.69 0.00 0.00 48 2.62 9 3 0 57.81 115.62 0.5908 2.8648 716.19 9 3 0 20.4 0.7 0.69 0.00 0.00 24 2.62 9 3 2 59.87 119.74 0.5781 2.9921 748.03 9 3 2 38.9 0.7 0.67 0.00 0.00 48 2.66 7 6 3 59.87 119.74 0.5781 2.9921 748.03 7 6 3 38.9 0.7 0.67 0.00 0.00 48 2.66 8 4 4 60.93 121.86 0.5721 3.0558 763.94 8 4 4 19.1 0.7 0.66 0.00 0.00 24 2.69 8 5 3 62.02 124.04 0.5662 3.1194 779.86 8 5 3 37.5 0.7 0.65 0.00 0.00 48 2.73 9 4 1 62.02 124.04 0.5662 3.1194 779.86 9 4 1 37.5 0.7 0.65 0.00 0.00 48 2.73 7 7 0 62.02 124.04 0.5662 3.1194 779.86 7 7 0 9.4 0.7 0.65 0.00 0.00 12 2.73 8 6 0 63.13 126.27 0.5605 3.1831 795.77 8 6 0 18.5 0.6 0.64 0.00 0.00 24 2.78 10 0 0 63.13 126.27 0.5605 3.1831 795.77 10 0 0 4.6 0.6 0.64 0.00 0.00 6 2.78 7 7 2 64.28 128.56 0.5550 3.2468 811.69 7 7 2 18.3 0.6 0.63 0.00 0.00 24 2.84 10 1 1 64.28 128.56 0.5550 3.2468 811.69 10 1 1 18.3 0.6 0.63 0.00 0.00 24 2.84 10 2 0 65.47 130.94 0.5496 3.3104 827.60 10 2 0 18.1 0.6 0.62 0.00 0.00 24 2.91 8 6 2 65.47 130.94 0.5496 3.3104 827.60 8 6 2 36.2 0.6 0.62 0.00 0.00 48 2.91 9 5 0 66.70 133.40 0.5444 3.3741 843.52 9 5 0 18.1 0.6 0.61 0.00 0.00 24 3.00 9 4 3 66.70 133.40 0.5444 3.3741 843.52 9 4 3 36.2 0.6 0.61 0.00 0.00 48 3.00 10 2 2 67.98 135.96 0.5393 3.4377 859.43 10 2 2 18.1 0.6 0.60 0.00 0.00 24 3.10 6 6 6 67.98 135.96 0.5393 3.4377 859.43 6 6 6 6.0 0.6 0.60 0.00 0.00 8 3.10 10 3 1 69.33 138.65 0.5344 3.5014 875.35 10 3 1 36.6 0.6 0.59 0.00 0.00 48 3.24 7 6 5 69.33 138.65 0.5344 3.5014 875.35 7 6 5 36.6 0.6 0.59 0.00 0.00 48 3.24 9 5 2 69.33 138.65 0.5344 3.5014 875.35 9 5 2 36.6 0.6 0.59 0.00 0.00 48 3.24 8 5 5 72.26 144.52 0.5250 3.6287 907.18 8 5 5 19.2 0.6 0.57 0.00 0.00 24 3.62 7 7 4 72.26 144.52 0.5250 3.6287 907.18 7 7 4 19.2 0.6 0.57 0.00 0.00 24 3.62 8 7 1 72.26 144.52 0.5250 3.6287 907.18 8 7 1 38.4 0.6 0.57 0.00 0.00 48 3.62 8 6 4 73.90 147.80 0.5204 3.6924 923.10 8 6 4 40.2 0.6 0.56 0.00 0.00 48 3.91 10 4 0 73.90 147.80 0.5204 3.6924 923.10 10 4 0 20.1 0.6 0.56 0.00 0.00 24 3.91 9 6 1 75.70 151.40 0.5160 3.7560 939.01 9 6 1 43.0 0.6 0.55 0.00 0.00 48 4.31 10 3 3 75.70 151.40 0.5160 3.7560 939.01 10 3 3 21.5 0.6 0.55 0.00 0.00 24 4.31 10 4 2 77.74 155.49 0.5117 3.8197 954.93 10 4 2 47.6 0.5 0.55 0.00 0.00 48 4.93 11 1 0 80.17 160.34 0.5075 3.8834 970.84 11 1 0 28.2 0.5 0.54 0.00 0.00 24 6.03 9 5 4 80.17 160.34 0.5075 3.8834 970.84 9 5 4 56.4 0.5 0.54 0.00 0.00 48 6.03 8 7 3 80.17 160.34 0.5075 3.8834 970.84 8 7 3 56.4 0.5 0.54 0.00 0.00 48 6.03