Sabinaite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110174 McDonald A M The Canadian Mineralogist 34 (1996) 811-815 The crystal structure of sabinaite, Na4Zr2TiO4(CO3)4 Locality: Mont St-Hilaire, Quebec, Canada _database_code_amcsd 0005502 CELL PARAMETERS: 10.2100 6.6232 17.9830 90.000 94.164 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Na 0.89710 0.55930 0.41840 1.000 1.320 Na 0.87210 0.08740 0.43350 1.000 1.491 Zr 0.69160 0.31230 0.24780 1.000 0.412 Ti 0.00000 0.30790 0.25000 1.000 0.500 C 0.14990 0.35120 0.39960 1.000 0.825 C 0.59420 0.33530 0.38340 1.000 0.729 O 0.03740 0.30730 0.36430 1.000 1.003 O 0.71950 0.33160 0.37230 1.000 0.976 O 0.13600 0.50340 0.24000 1.000 0.718 O 0.86380 0.12070 0.26300 1.000 0.736 O 0.15470 0.43060 0.46240 1.000 1.634 O 0.51950 0.30910 0.32150 1.000 0.801 O 0.25930 0.31590 0.36730 1.000 0.854 O 0.54880 0.35680 0.44500 1.000 1.345 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 6 +/- 16 MAX. ABS. INTENSITY / VOLUME**2: 44.36459637 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.86 100.00 8.9678 0 0 2 16.90 1.12 5.2455 1 1 1 17.42 3.15 5.0915 2 0 0 19.41 2.74 4.5725 -2 0 2 19.80 9.63 4.4839 0 0 4 20.68 5.01 4.2958 2 0 2 25.50 1.17 3.4932 -2 0 4 26.92 6.31 3.3116 0 2 0 27.39 19.41 3.2566 0 2 1 27.44 1.78 3.2500 2 0 4 28.74 14.11 3.1066 0 2 2 29.67 6.62 3.0108 -3 1 1 29.89 21.37 2.9893 0 0 6 30.32 11.31 2.9478 3 1 1 30.61 1.42 2.9204 -3 1 2 30.87 1.86 2.8969 0 2 3 31.87 4.01 2.8083 3 1 2 32.33 9.51 2.7691 -3 1 3 32.44 2.27 2.7600 -2 2 1 32.84 11.26 2.7271 2 2 1 33.65 3.68 2.6636 -2 0 6 34.11 8.65 2.6286 3 1 3 34.19 3.53 2.6227 2 2 2 35.97 1.52 2.4971 -4 0 2 37.67 1.81 2.3879 -3 1 5 40.22 4.71 2.2419 0 0 8 40.25 2.81 2.2404 3 1 5 40.28 1.83 2.2387 -2 2 5 41.87 1.74 2.1576 1 3 0 42.88 4.94 2.1091 -2 0 8 43.61 1.19 2.0756 -2 2 6 44.72 1.82 2.0265 0 2 7 44.88 4.60 2.0194 -3 1 7 44.90 2.98 2.0186 -4 2 1 44.91 3.97 2.0183 4 2 0 45.49 1.05 1.9938 -4 2 2 45.51 1.22 1.9929 4 2 1 46.58 2.51 1.9499 -5 1 1 47.32 1.69 1.9210 5 1 1 48.02 6.09 1.8945 3 1 7 48.14 1.05 1.8900 -5 1 3 49.07 3.73 1.8565 0 2 8 49.23 4.38 1.8507 3 3 0 49.35 2.54 1.8467 2 2 7 49.73 1.14 1.8335 3 3 1 49.92 3.75 1.8269 -3 3 2 50.29 1.93 1.8143 5 1 3 50.76 3.59 1.7985 3 3 2 50.91 3.66 1.7936 0 0 10 51.86 1.10 1.7630 -5 1 5 52.76 2.53 1.7351 -3 3 4 53.42 3.65 1.7152 -3 1 9 53.55 1.16 1.7114 2 2 8 53.68 3.60 1.7075 0 2 9 54.27 2.46 1.6901 -6 0 2 54.37 2.43 1.6873 3 3 4 54.92 1.36 1.6719 -3 3 5 55.75 6.92 1.6488 0 4 1 56.98 2.36 1.6161 3 1 9 57.52 2.12 1.6022 -3 3 6 59.63 1.58 1.5504 6 0 4 59.81 2.39 1.5464 3 3 6 61.70 1.38 1.5034 0 4 5 63.95 2.96 1.4558 -3 3 8 65.53 1.01 1.4244 -7 1 1 66.81 1.75 1.4003 3 3 8 66.96 1.07 1.3976 3 1 11 67.33 2.28 1.3907 0 4 7 69.34 1.39 1.3552 -2 4 7 71.83 1.22 1.3142 -3 3 10 75.22 1.15 1.2632 3 3 10 83.14 1.06 1.1618 0 4 11 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.