Phosphorus Cartz L, Srinivasa S R, Riedner R J, Jorgensen J D, Worlton T G Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.73 GPa Note: pressures calculated from the measured unit cell volume _database_code_amcsd 0013014 CELL PARAMETERS: 3.3114 10.2330 4.2780 90.000 90.000 90.000 SPACE GROUP: Cmca X-RAY WAVELENGTH: 1.541838 Cell Volume: 144.962 Density (g/cm3): 2.838 MAX. ABS. INTENSITY / VOLUME**2: 23.34300349 RIR: 2.678 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.33 23.05 5.1165 0 2 0 2 27.17 46.52 3.2820 0 2 1 4 35.08 40.82 2.5582 0 4 0 2 35.38 100.00 2.5368 1 1 1 8 41.11 3.13 2.1956 0 4 1 4 42.25 9.34 2.1390 0 0 2 2 43.57 13.42 2.0771 1 3 1 8 51.65 15.66 1.7697 1 1 2 8 53.75 6.12 1.7055 0 6 0 2 55.50 12.05 1.6557 2 0 0 2 56.04 5.78 1.6410 0 4 2 4 57.12 33.41 1.6125 1 5 1 8 58.02 23.80 1.5897 1 3 2 8 58.24 2.43 1.5842 0 6 1 4 58.60 1.21 1.5753 2 2 0 4 62.87 6.58 1.4782 2 2 1 8 67.37 10.01 1.3900 2 4 0 4 68.28 11.50 1.3736 0 2 3 4 70.64 1.63 1.3335 0 6 2 4 71.35 1.06 1.3220 2 4 1 8 72.14 3.35 1.3093 2 0 2 4 74.13 1.46 1.2791 0 8 0 2 76.48 1.97 1.2456 0 4 3 4 77.96 1.27 1.2255 0 8 1 4 80.92 3.46 1.1880 2 6 0 4 82.82 3.53 1.1655 2 4 2 8 84.67 1.60 1.1447 2 6 1 8 85.66 8.90 1.1340 1 7 2 8 89.61 3.19 1.0940 0 6 3 4 ================================================================================ '-x,1/2-y,1/2+z' '1/2-x,-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z P 0.00000 0.10540 0.07710