Gysinite-(Nd) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100062 Feng W J, Zhou G P, Liu Z B, Xu Y Acta Crystallographica E63 (2007) i174-i174 Nd(CO3)(OH) from single-crystal data _database_code_amcsd 0010477 CELL PARAMETERS: 7.2430 4.9960 8.5570 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Nd 0.35584 0.25000 0.83332 1.000 0.611 C 0.19600 -0.25000 0.67930 1.000 0.584 O 0.15250 -0.02580 0.61210 1.000 0.750 O 0.03860 0.25000 0.89490 1.000 1.137 O 0.29410 -0.25000 0.80320 1.000 1.113 H 0.00000 0.15400 0.97000 0.500 1.342 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 4 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 59.51259709 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.03 38.72 5.5284 1 0 1 20.59 100.00 4.3145 0 1 1 20.76 31.01 4.2785 0 0 2 24.01 51.24 3.7067 1 1 1 24.16 35.39 3.6838 1 0 2 24.58 8.78 3.6215 2 0 0 26.73 45.67 3.3351 2 0 1 30.14 18.92 2.9649 1 1 2 30.49 63.96 2.9322 2 1 0 32.39 4.09 2.7642 2 0 2 33.77 27.07 2.6540 1 0 3 35.95 27.21 2.4980 0 2 0 36.27 1.06 2.4771 0 1 3 37.17 19.00 2.4187 2 1 2 38.41 47.54 2.3438 1 1 3 38.75 20.76 2.3236 3 0 1 39.59 1.56 2.2764 1 2 1 40.25 2.00 2.2408 2 0 3 41.88 11.80 2.1572 0 2 2 42.25 8.82 2.1393 0 0 4 42.93 4.20 2.1069 3 1 1 43.02 3.38 2.1027 3 0 2 43.79 40.40 2.0675 1 2 2 44.04 1.18 2.0563 2 2 0 44.14 14.67 2.0516 1 0 4 45.36 41.76 1.9994 2 2 1 46.88 23.25 1.9380 3 1 2 47.93 11.58 1.8978 1 1 4 49.16 2.26 1.8533 2 2 2 49.46 23.40 1.8428 3 0 3 50.15 10.93 1.8190 1 2 3 50.40 7.12 1.8108 4 0 0 51.59 2.42 1.7715 4 0 1 52.96 6.14 1.7289 3 1 3 52.99 6.94 1.7282 2 1 4 53.85 3.86 1.7024 4 1 0 53.89 4.81 1.7014 3 2 1 55.00 14.93 1.6697 4 1 1 55.07 1.98 1.6676 4 0 2 55.14 1.38 1.6655 1 0 5 56.28 8.24 1.6347 0 3 1 56.65 1.83 1.6248 0 2 4 56.87 7.62 1.6190 0 1 5 57.27 4.41 1.6086 3 2 2 57.56 1.07 1.6011 3 0 4 57.82 2.64 1.5946 1 3 1 58.19 9.02 1.5854 1 2 4 58.41 1.96 1.5800 1 1 5 59.77 5.44 1.5473 2 0 5 60.74 7.79 1.5248 3 1 4 61.07 3.98 1.5175 1 3 2 61.26 6.26 1.5130 2 3 0 62.65 14.87 1.4829 3 2 3 63.45 3.41 1.4661 4 2 0 64.48 4.27 1.4450 4 2 1 65.43 3.50 1.4265 2 3 2 65.44 3.20 1.4262 0 0 6 66.26 7.58 1.4106 1 3 3 67.54 2.49 1.3869 4 2 2 67.60 3.32 1.3858 1 2 5 67.81 1.82 1.3821 4 0 4 68.30 2.63 1.3733 5 1 1 68.37 2.20 1.3721 5 0 2 70.72 1.22 1.3321 4 1 4 71.76 8.09 1.3154 2 2 5 72.39 7.40 1.3055 3 3 2 73.20 2.67 1.2930 1 3 4 73.90 9.62 1.2825 2 1 6 76.12 8.62 1.2505 5 1 3 76.23 3.89 1.2490 0 4 0 76.99 5.17 1.2385 0 2 6 77.21 1.62 1.2356 3 3 3 77.23 1.39 1.2353 2 3 4 78.48 3.17 1.2188 3 2 5 78.89 5.36 1.2134 4 3 1 79.38 1.37 1.2072 6 0 0 79.40 4.59 1.2069 4 1 5 79.74 6.51 1.2026 5 2 2 79.99 3.21 1.1995 5 0 4 80.03 1.18 1.1990 0 4 2 80.32 1.44 1.1953 6 0 1 80.47 2.83 1.1935 0 3 5 80.97 1.91 1.1874 0 1 7 81.35 2.67 1.1829 1 4 2 81.78 1.17 1.1776 1 3 5 82.14 2.63 1.1734 6 1 0 82.28 1.40 1.1718 1 1 7 82.46 4.00 1.1697 2 4 1 83.08 2.00 1.1625 6 1 1 83.46 3.47 1.1582 2 0 7 83.81 2.85 1.1542 3 3 4 86.03 2.74 1.1301 1 4 3 86.96 2.16 1.1204 4 0 6 87.64 1.07 1.1134 4 2 5 88.97 2.23 1.1001 3 4 1 89.69 1.11 1.0932 4 1 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.