Arisite-(La) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120051 Piilonen P C, McDonald A M, Grice J D, Cooper M A, Kolitsch U, Rowe R, Gault R A, Poirier G Mineralogical Magazine 74 (2010) 257-268 Arisite-(La), a new REE-fluorcarbonate mineral from the Aris phonolite (Namibia), with descriptions of the crystal structures of arisite-(La) and arisite-(Ce) Locality: Aris, Namibia Note: x-coordinate of O1 adjusted to special position _database_code_amcsd 0014599 CELL PARAMETERS: 5.1210 5.1210 8.6880 90.000 90.000 120.000 SPACE GROUP: P-6m2 ATOM X Y Z OCCUPANCY ISO(B) Na 0.00000 0.00000 0.00000 1.000 1.105 La 0.66667 0.33333 0.72574 0.450 0.869 Ce 0.66667 0.33333 0.72574 0.420 0.869 Nd 0.66667 0.33333 0.72574 0.040 0.869 Pr 0.66667 0.33333 0.72574 0.010 0.869 Sm 0.66667 0.33333 0.72574 0.010 0.869 Ca 0.66667 0.33333 0.72574 0.070 0.869 C 0.33333 0.66667 0.80400 1.000 0.947 O 0.62800 0.81400 0.80130 1.000 1.500 F 0.66667 0.33333 0.00000 1.000 2.527 C 0.00000 0.00000 0.50000 0.630 3.474 O 0.84700 0.15300 0.50000 0.630 1.974 F 0.84700 0.15300 0.50000 0.240 1.974 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 4 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 65.06638332 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 20.02 100.00 4.4349 1 0 0 20.44 42.74 4.3440 0 0 2 22.51 7.63 3.9500 1 0 1 28.77 78.88 3.1033 1 0 2 35.05 40.85 2.5605 1 1 0 37.08 21.20 2.4248 1 0 3 40.69 32.71 2.2175 2 0 0 40.91 26.77 2.2058 1 1 2 41.58 10.87 2.1720 0 0 4 42.05 1.26 2.1486 2 0 1 45.95 45.61 1.9750 2 0 2 46.56 18.41 1.9506 1 0 4 47.39 11.03 1.9182 1 1 3 51.94 3.05 1.7606 2 0 3 54.76 14.57 1.6762 2 1 0 55.48 13.71 1.6563 1 1 4 55.86 1.57 1.6459 2 1 1 56.92 9.74 1.6179 1 0 5 59.07 16.94 1.5639 2 1 2 59.58 8.61 1.5517 2 0 4 62.86 6.06 1.4783 3 0 0 64.20 5.07 1.4507 2 1 3 64.85 2.85 1.4378 1 1 5 66.85 5.66 1.3995 3 0 2 68.12 3.40 1.3765 1 0 6 68.62 1.34 1.3677 2 0 5 71.03 9.74 1.3270 2 1 4 71.68 2.75 1.3167 3 0 3 74.05 6.87 1.2802 2 2 0 75.42 1.47 1.2604 1 1 6 77.62 4.55 1.2300 3 1 0 77.77 4.53 1.2280 2 2 2 78.22 4.20 1.2221 3 0 4 78.97 1.77 1.2124 2 0 6 79.44 6.63 1.2064 2 1 5 80.33 4.40 1.1952 1 0 7 81.29 7.69 1.1835 3 1 2 85.83 2.06 1.1321 3 1 3 86.42 1.34 1.1259 3 0 5 87.30 3.93 1.1169 1 1 7 88.11 2.25 1.1087 4 0 0 88.69 4.34 1.1029 2 2 4 89.42 2.81 1.0958 2 1 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.