Eliseevite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R130075 Yakovenchuk V N, Ivanyuk G Y, Krivovichev S V, Pakhomovsky Y A, Selivanova E A, Korchak J A, Men'shikov Y P, Drogobuzhskaya S V, Zalkind O A American Mineralogist 96 (2011) 1624-1629 Eliseevite, Na1.5Li[Ti2Si4O12.5(OH)1.5]*2H2O, a new microporous titanosilicate from the Lovozero alkaline massif (Kola Peninsula, Russia) Locality: the Lovozero alkaline massif, Kola Peninsula, Russia Note y-coordinate for O3 changed from .218 to reproduce reported bond lengths _database_code_amcsd 0018483 CELL PARAMETERS: 27.4830 8.6690 5.2460 90.000 90.782 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Na 0.16550 0.19720 -0.37970 0.750 1.990 Li 0.00000 0.36750 0.25000 1.000 0.711 Ti 0.16410 0.40570 0.12560 1.000 1.105 Si 0.26590 0.58970 0.29010 1.000 0.979 Si 0.09100 0.09900 0.03070 1.000 2.045 O 0.20700 0.57730 0.28900 1.000 1.169 O 0.28730 0.76020 0.26630 1.000 1.342 O 0.10490 0.02180 0.30220 1.000 3.790 O 0.13310 0.43400 0.42350 1.000 1.303 O 0.28730 0.49200 0.04900 1.000 1.169 O 0.12190 0.25140 -0.00830 1.000 1.658 OH 0.03290 0.13100 0.01420 0.750 3.237 O 0.03290 0.13100 0.01420 0.250 3.237 Wa -0.03760 0.38540 -0.04900 1.000 11.370 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 25 +/- 7 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 34.10909040 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.43 100.00 13.7402 2 0 0 12.89 4.03 6.8701 4 0 0 14.07 5.82 6.2964 3 1 0 19.12 7.11 4.6418 5 1 0 20.01 1.33 4.4375 -1 1 1 20.08 7.86 4.4210 1 1 1 20.49 5.14 4.3345 0 2 0 21.95 5.00 4.0489 -3 1 1 24.90 12.50 3.5762 7 1 0 29.84 23.19 2.9946 4 2 1 30.43 1.69 2.9379 7 1 1 31.05 8.64 2.8800 9 1 0 33.05 8.34 2.7106 -6 2 1 33.33 3.42 2.6882 6 2 1 34.73 6.11 2.5827 -2 0 2 35.64 3.76 2.5188 1 3 1 36.50 3.17 2.4615 -4 0 2 36.91 1.63 2.4355 3 3 1 37.38 2.28 2.4056 -8 2 1 39.26 1.16 2.2948 -5 1 2 42.49 2.62 2.1276 -7 1 2 42.63 2.26 2.1209 7 3 1 42.79 2.75 2.1134 10 2 1 43.71 1.01 2.0710 8 0 2 46.77 1.70 1.9423 9 3 1 47.34 1.01 1.9203 4 4 1 53.34 1.10 1.7175 16 0 0 53.81 1.18 1.7036 3 5 0 55.34 1.54 1.6602 -2 4 2 56.94 3.16 1.6172 13 3 1 57.30 2.89 1.6080 2 2 3 59.18 1.12 1.5613 14 0 2 62.10 1.18 1.4947 -1 3 3 62.37 2.10 1.4887 -15 3 1 62.82 1.29 1.4792 -3 3 3 67.03 1.29 1.3961 5 5 2 68.69 1.38 1.3664 -17 3 1 69.58 1.14 1.3511 17 1 2 75.74 1.06 1.2558 -11 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.