Hornesite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060724 Rojo J M, Mesa J L, Pizarro J L, Lezama L, Arriortua M I, Rojo T Materials Research Bulletin 31 (1996) 925-934 Spectroscopic and magnetic study of the (Mg,M)3(AsO4)2*8H2O (M = Ni2+, Co2+) arsenates Locality: synthetic Note: z(Wat2) corrected CELL PARAMETERS: 10.2100 13.3400 4.7100 90.000 105.150 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Mg 0.00000 0.00000 0.00000 0.648 0.440 Ni 0.00000 0.00000 0.00000 0.352 0.440 Mg 0.00000 0.38390 0.00000 0.918 0.440 Ni 0.00000 0.38390 0.00000 0.082 0.440 As 0.31540 0.00000 0.37850 1.000 0.440 O 0.14980 0.00000 0.38400 1.000 0.440 O 0.40650 0.00000 0.73700 1.000 0.440 O 0.33700 0.11080 0.21680 1.000 0.440 Wa 0.09900 0.11270 -0.18850 1.000 0.440 Wa 0.40140 0.22530 0.70750 1.000 0.440 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 12 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 23.11686193 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.16 22.07 7.9267 1 1 0 13.27 100.00 6.6700 0 2 0 20.37 33.43 4.3589 -1 1 1 22.43 9.59 3.9633 2 2 0 22.89 5.70 3.8856 -2 0 1 23.68 4.44 3.7567 0 2 1 24.54 2.50 3.6283 1 1 1 26.73 6.81 3.3350 0 4 0 27.87 30.44 3.2011 -1 3 1 27.97 16.96 3.1898 3 1 0 29.86 29.08 2.9925 -3 1 1 30.03 20.20 2.9762 2 0 1 32.42 4.31 2.7619 2 4 0 32.96 33.19 2.7179 2 2 1 33.32 22.54 2.6891 0 4 1 33.93 11.40 2.6422 3 3 0 34.84 1.89 2.5753 1 5 0 35.47 19.71 2.5307 -2 4 1 36.47 3.80 2.4638 4 0 0 36.66 13.96 2.4510 -4 0 1 38.85 7.11 2.3180 -1 1 2 39.00 8.74 2.3094 -1 5 1 39.16 4.05 2.3006 -4 2 1 39.65 2.17 2.2732 0 0 2 40.58 1.63 2.2233 0 6 0 40.63 3.15 2.2205 2 4 1 41.43 6.23 2.1795 -2 2 2 41.99 1.44 2.1516 0 2 2 43.50 1.51 2.0803 -1 3 2 43.67 7.08 2.0727 1 1 2 43.71 7.91 2.0710 3 5 0 44.72 1.85 2.0266 2 6 0 45.41 2.83 1.9973 0 6 1 45.95 8.47 1.9750 -4 4 1 46.58 5.67 1.9499 5 1 0 46.93 3.99 1.9361 -3 3 2 47.09 1.24 1.9298 -2 6 1 47.94 9.57 1.8975 1 3 2 48.82 1.37 1.8653 -4 2 2 49.78 3.23 1.8318 -5 3 1 51.29 1.99 1.7812 2 6 1 51.91 3.79 1.7613 -1 7 1 53.42 1.04 1.7153 -5 1 2 54.24 1.16 1.6910 4 4 1 54.67 3.11 1.6787 -4 4 2 54.83 5.41 1.6744 -3 5 2 55.07 9.64 1.6675 0 8 0 55.74 8.86 1.6493 1 5 2 55.77 1.50 1.6484 3 7 0 55.83 1.77 1.6468 -4 6 1 55.91 3.01 1.6446 5 1 1 56.04 2.98 1.6411 2 4 2 56.06 1.26 1.6406 -6 2 1 57.14 1.77 1.6120 -5 3 2 57.39 2.72 1.6055 -5 5 1 57.59 2.11 1.6006 -2 6 2 57.81 4.43 1.5949 6 2 0 58.19 1.41 1.5853 5 5 0 59.53 4.62 1.5529 5 3 1 60.28 4.75 1.5354 -6 0 2 61.16 1.06 1.5154 0 0 3 61.43 4.67 1.5093 -6 4 1 62.40 5.92 1.4881 4 0 2 62.73 2.78 1.4811 -1 7 2 63.15 2.83 1.4723 -1 3 3 63.60 1.47 1.4630 -4 6 2 64.00 4.76 1.4547 2 8 1 64.12 1.24 1.4524 4 2 2 64.33 1.47 1.4481 -7 1 1 64.77 2.14 1.4394 -4 2 3 65.04 2.57 1.4339 1 1 3 65.81 3.73 1.4191 -2 4 3 66.25 1.54 1.4107 1 7 2 66.41 2.91 1.4078 5 5 1 67.11 1.33 1.3947 -6 4 2 67.94 3.07 1.3797 0 4 3 68.00 2.46 1.3787 -4 8 1 68.48 1.71 1.3701 5 7 0 69.58 1.22 1.3511 3 9 0 69.83 2.47 1.3469 -1 5 3 69.84 1.33 1.3468 -6 6 1 70.11 1.26 1.3422 7 3 0 70.55 3.91 1.3349 -3 9 1 70.61 2.94 1.3340 0 10 0 70.73 1.65 1.3320 -3 5 3 71.07 1.28 1.3264 -5 3 3 71.40 1.38 1.3211 6 6 0 75.91 1.40 1.2534 -8 2 1 76.12 1.41 1.2505 5 7 1 76.17 2.75 1.2498 7 1 1 76.51 1.90 1.2452 7 5 0 78.59 2.36 1.2173 2 10 1 78.61 1.61 1.2170 -7 5 2 79.11 1.08 1.2106 1 9 2 79.20 1.22 1.2094 3 3 3 81.85 2.06 1.1769 -2 0 4 82.19 1.27 1.1729 -1 11 1 83.46 1.46 1.1582 -7 3 3 86.08 1.90 1.1295 -6 8 2 87.95 2.57 1.1103 4 8 2 89.24 1.02 1.0976 4 4 3 89.60 1.14 1.0941 -7 5 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.