Biphosphammite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070206 Khan A A, Baur W H Acta Crystallographica B29 (1973) 2721-2726 Refinement of the crystal structures of ammonium dihydrogen phosphate and ammonium dihydrogen arsenate Locality: synthetic Note: known as ADP _database_code_amcsd 0009493 CELL PARAMETERS: 7.4930 7.4930 7.5460 90.000 90.000 90.000 SPACE GROUP: I-42d ATOM X Y Z OCCUPANCY ISO(B) P 0.00000 0.00000 0.00000 1.000 1.461 N 0.00000 0.00000 0.50000 1.000 2.315 O 0.08430 0.14660 0.11510 1.000 2.079 H -0.00200 0.08900 0.56300 1.000 2.800 H 0.25000 0.15000 0.12500 0.500 5.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 16.54342987 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.67 100.00 5.3170 1 0 1 23.75 42.92 3.7465 2 0 0 29.05 56.28 3.0734 1 1 2 29.16 15.45 3.0626 2 1 1 33.71 6.11 2.6585 2 0 2 33.84 7.22 2.6492 2 2 0 37.97 2.22 2.3695 3 1 0 45.07 7.25 2.0117 2 1 3 45.19 18.35 2.0066 3 1 2 45.26 1.48 2.0036 3 2 1 51.74 2.05 1.7668 4 1 1 54.46 2.50 1.6849 2 0 4 54.79 2.10 1.6755 4 2 0 57.53 1.04 1.6021 3 2 3 57.63 3.17 1.5995 3 3 2 60.22 3.08 1.5367 2 2 4 63.11 2.63 1.4731 4 1 3 68.53 2.41 1.3693 5 1 2 68.58 1.47 1.3683 5 2 1 70.90 3.69 1.3292 4 0 4 71.18 1.25 1.3246 4 4 0 75.96 2.37 1.2527 4 2 4 78.66 2.02 1.2164 5 3 2 81.19 1.24 1.1847 6 2 0 83.21 1.16 1.1610 4 1 5 83.62 1.15 1.1564 5 4 1 87.89 1.68 1.1109 3 1 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.