Lecoqite-(Y) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R141187 Ben Ali A, Awaleh M O, Leblanc M, Smiri L S, Maisonneuve V, Houlbert S Comptes Rendus Chimie 7 (2004) 661-668 Hydrothermal sythesis, crystal structure, thermal behaviour, IR and Raman spectroscopy of Na3Y(CO3)3*6H2O Locality: synthetic _cod_database_code 9013471 CELL PARAMETERS: 11.3470 11.3470 5.9350 90.000 90.000 120.000 SPACE GROUP: P6_3 ATOM X Y Z OCCUPANCY ISO(B) Na 0.37490 0.36340 0.67880 1.000 2.120 Y 0.33333 0.66667 0.90230 1.000 1.310 C 0.12000 0.43600 0.67600 1.000 1.600 O 0.03130 0.33820 0.56300 1.000 1.800 O 0.25050 0.48690 0.63400 1.000 1.800 O 0.09140 0.49290 0.84100 1.000 1.800 Ow 0.15800 0.17900 0.55500 1.000 6.600 Ow 0.49300 0.21600 0.67400 1.000 2.300 H 0.08000 0.10000 0.47000 1.000 4.000 H 0.12000 0.25000 0.52000 1.000 4.000 H 0.47000 0.20000 0.85000 1.000 4.000 H 0.54000 0.17000 0.68000 1.000 4.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 9 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 16.10974217 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.00 100.00 9.8268 1 0 0 15.62 16.56 5.6735 1 1 0 17.46 60.93 5.0803 1 0 1 18.05 3.86 4.9134 2 0 0 23.51 37.45 3.7847 2 0 1 23.96 1.65 3.7142 1 2 0 23.96 6.04 3.7142 2 1 0 27.22 20.87 3.2756 3 0 0 28.35 7.48 3.1485 1 2 1 28.35 7.64 3.1485 2 1 1 30.11 4.24 2.9675 0 0 2 31.19 1.76 2.8678 3 0 1 31.49 5.76 2.8408 1 0 2 32.86 7.05 2.7255 1 3 0 32.86 9.52 2.7255 3 1 0 34.10 17.58 2.6295 1 1 2 35.06 8.92 2.5594 2 2 1 35.33 1.49 2.5402 2 0 2 36.27 21.53 2.4768 1 3 1 36.27 12.17 2.4768 3 1 1 38.84 8.37 2.3184 1 2 2 38.84 7.15 2.3184 2 1 2 39.71 5.53 2.2699 4 0 1 39.99 1.84 2.2544 3 2 0 39.99 3.16 2.2544 2 3 0 41.04 2.05 2.1992 3 0 2 42.14 3.34 2.1444 1 4 0 42.91 7.57 2.1075 3 2 1 42.91 8.26 2.1075 2 3 1 44.17 19.45 2.0506 2 2 2 45.17 1.09 2.0073 3 1 2 46.84 6.39 1.9394 1 0 3 48.08 4.46 1.8924 4 0 2 48.11 8.78 1.8912 3 3 0 48.75 2.40 1.8680 1 1 3 48.81 4.65 1.8657 5 0 1 49.05 3.32 1.8571 2 4 0 49.68 1.94 1.8352 2 0 3 50.87 1.41 1.7951 2 3 2 50.87 6.59 1.7951 3 2 2 51.57 5.07 1.7723 2 4 1 51.57 1.23 1.7723 4 2 1 52.40 3.39 1.7461 1 2 3 52.40 1.57 1.7461 2 1 3 52.66 5.09 1.7381 4 1 2 52.66 8.37 1.7381 1 4 2 54.22 2.92 1.6917 1 5 1 54.22 3.07 1.6917 5 1 1 56.13 1.53 1.6386 5 0 2 56.16 3.06 1.6378 6 0 0 56.73 2.74 1.6227 2 2 3 57.01 1.67 1.6155 3 4 0 57.57 2.18 1.6010 1 3 3 57.57 1.33 1.6010 3 1 3 58.67 1.56 1.5735 2 5 0 59.28 1.32 1.5588 3 4 1 60.04 2.14 1.5408 4 0 3 61.09 1.48 1.5169 1 5 2 62.46 1.55 1.4870 2 3 3 62.61 1.17 1.4837 0 0 4 63.40 1.51 1.4671 1 0 4 64.09 1.79 1.4530 1 6 1 64.09 1.41 1.4530 6 1 1 64.97 1.41 1.4355 1 1 4 67.36 1.56 1.3902 5 2 2 68.71 1.35 1.3661 5 3 1 69.41 1.25 1.3540 2 4 3 69.56 1.25 1.3516 3 0 4 70.96 1.52 1.3282 6 2 1 71.66 1.01 1.3170 1 5 3 76.06 1.10 1.2513 3 4 3 76.06 1.37 1.2513 4 3 3 80.39 1.54 1.1945 1 6 3 80.60 1.73 1.1920 7 1 2 82.66 1.07 1.1673 3 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.