Plumbonacrite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130567 Krivovichev S V, Burns P C Mineralogical Magazine 64 (2000) 1069-1075 Crystal chemistry of basic lead carbonates II. Crystal structure of synthetic `plumbonacrite' Locality: synthetic _database_code_amcsd 0014551 CELL PARAMETERS: 9.0893 9.0893 24.9040 90.000 90.000 120.000 SPACE GROUP: P6_3cm ATOM X Y Z OCCUPANCY ISO(B) Pb 0.64630 0.00000 0.09310 1.000 1.169 Pb 0.00000 0.00000 0.31710 1.000 1.374 Pb 0.67810 0.00000 0.49900 1.000 1.792 Pb 0.00000 0.24660 0.20000 1.000 1.453 Pb 0.66667 0.33333 0.27980 1.000 2.929 Pb 0.42650 0.07880 0.39140 0.500 3.000 C 0.00000 0.00000 0.11000 1.000 1.579 C 0.00000 0.00000 0.46500 1.000 0.553 C 0.33333 0.66667 0.11200 1.000 1.579 C 0.32300 0.32300 0.30200 1.000 1.579 C 0.66667 0.33333 0.48600 1.000 2.369 OH 0.71100 0.00000 0.17710 1.000 1.579 O 0.52500 0.19900 0.48140 1.000 0.632 O 0.46900 0.46900 0.29440 1.000 0.395 O 0.00000 0.13800 0.47760 1.000 1.500 O 0.00000 0.00000 0.22000 1.000 3.948 O 0.66667 0.33333 0.36600 1.000 1.579 O 0.14300 0.00000 0.10200 1.000 4.106 O 0.18500 0.32300 0.29950 1.000 2.685 O 0.33200 -0.19000 0.12260 1.000 2.921 OH 0.64900 0.00000 0.40870 1.000 1.421 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 22 MAX. ABS. INTENSITY / VOLUME**2: 200.3317448 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.31 7.45 6.6536 1 0 2 18.17 2.01 4.8832 1 0 4 19.53 2.43 4.5447 1 1 0 19.86 3.57 4.4708 1 1 1 20.81 35.51 4.2692 1 1 2 22.30 15.52 3.9864 1 1 3 23.71 5.27 3.7528 2 0 2 24.24 8.52 3.6715 1 0 6 24.25 12.06 3.6707 1 1 4 26.55 100.00 3.3572 1 1 5 26.80 8.91 3.3268 2 0 4 28.68 1.13 3.1130 0 0 8 29.14 13.61 3.0648 1 1 6 30.25 13.29 2.9542 2 1 1 30.89 10.02 2.8948 1 0 8 30.90 4.70 2.8937 2 1 2 31.95 3.96 2.8014 1 1 7 31.95 9.30 2.8007 2 1 3 33.38 4.91 2.6844 2 1 4 34.17 41.19 2.6239 3 0 0 34.94 3.44 2.5683 1 1 8 35.13 1.08 2.5542 2 1 5 36.06 20.61 2.4904 0 0 10 37.19 5.07 2.4179 3 0 4 37.89 2.56 2.3744 1 0 10 39.48 4.86 2.2823 2 1 7 39.84 2.75 2.2629 2 2 1 40.35 11.99 2.2354 2 2 2 41.19 9.79 2.1917 2 2 3 41.34 5.30 2.1840 1 1 10 42.34 4.63 2.1346 2 2 4 43.79 9.36 2.0673 2 2 5 44.72 2.73 2.0265 1 1 11 44.73 6.75 2.0262 2 1 9 45.20 1.32 2.0063 3 0 8 45.51 3.43 1.9932 2 2 6 46.73 2.84 1.9438 4 0 2 47.03 4.20 1.9322 3 1 6 47.48 4.99 1.9150 2 2 7 47.62 1.74 1.9097 2 1 10 48.20 1.56 1.8878 1 1 12 48.52 3.21 1.8764 4 0 4 49.66 1.99 1.8358 2 0 12 49.67 3.49 1.8354 2 2 8 50.53 15.36 1.8063 3 0 10 50.67 1.91 1.8017 2 1 11 50.68 2.23 1.8011 3 2 1 51.10 2.41 1.7874 3 1 8 51.39 4.45 1.7782 4 0 6 51.79 2.28 1.7653 1 1 13 51.81 1.46 1.7646 3 2 3 52.08 1.02 1.7561 2 2 9 52.78 3.19 1.7344 3 2 4 53.86 3.12 1.7021 2 1 12 53.88 10.55 1.7016 4 1 2 54.56 4.03 1.6821 4 1 3 54.68 1.63 1.6786 2 2 10 55.22 3.78 1.6634 4 0 8 56.02 1.63 1.6417 3 1 10 56.54 2.37 1.6277 3 0 12 56.69 4.11 1.6239 4 1 5 56.80 2.06 1.6210 2 0 14 57.19 1.45 1.6107 2 1 13 59.25 8.61 1.5595 1 1 15 59.79 4.25 1.5469 4 1 7 59.91 1.20 1.5440 4 0 10 60.65 2.05 1.5268 2 1 14 61.18 2.08 1.5149 3 3 0 61.30 1.50 1.5123 3 2 9 61.31 1.08 1.5121 3 3 1 61.67 2.38 1.5040 4 1 8 63.17 3.07 1.4719 3 3 4 63.52 1.38 1.4646 2 2 13 63.77 1.38 1.4594 4 1 9 64.27 1.33 1.4493 3 3 5 65.60 1.71 1.4231 3 3 6 66.21 1.48 1.4115 5 1 1 66.56 1.41 1.4049 5 0 8 68.93 1.12 1.3623 3 2 12 70.21 1.35 1.3406 2 2 15 71.27 2.40 1.3233 4 1 12 71.98 1.78 1.3119 6 0 0 73.12 1.15 1.2942 3 3 10 73.82 1.86 1.2837 6 0 4 74.14 1.09 1.2789 4 1 13 74.94 1.67 1.2673 3 2 14 75.52 1.33 1.2590 5 1 9 75.53 2.11 1.2588 5 2 1 75.87 1.45 1.2541 5 2 2 76.09 1.55 1.2509 6 0 6 76.43 1.82 1.2462 5 2 3 77.22 1.07 1.2354 4 3 6 78.11 1.58 1.2236 3 3 12 79.87 1.72 1.2009 1 1 20 79.99 1.11 1.1995 2 1 19 80.45 1.58 1.1938 4 1 15 80.91 2.47 1.1881 5 2 7 80.92 1.22 1.1880 6 1 3 83.24 1.04 1.1607 6 0 10 84.46 1.53 1.1471 5 2 9 87.52 1.53 1.1146 4 1 17 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.