Calderite Ottonello G, Borketa M, Sciuto P F American Mineralogist 81 (1996) 429-447 Parameterization of energy and interactions in garnets: End-member properties Locality: Calculated structure _database_code_amcsd 0018998 CELL PARAMETERS: 11.8288 11.8288 11.8288 90.000 90.000 90.000 SPACE GROUP: Ia3d X-RAY WAVELENGTH: 1.541838 Cell Volume: 1655.092 Density (g/cm3): 4.436 MAX. ABS. INTENSITY / VOLUME**2: 33.87442012 RIR: 2.486 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 18.37 4.86 4.8291 2 1 1 24 21.24 8.62 4.1821 2 2 0 12 28.23 3.61 3.1614 3 2 1 48 30.22 63.26 2.9572 4 0 0 6 33.89 100.00 2.6450 4 2 0 24 35.60 3.65 2.5219 3 3 2 24 37.24 68.68 2.4145 4 2 2 24 38.82 10.34 2.3198 4 3 1 48 41.83 15.80 2.1596 5 2 1 48 47.38 10.42 1.9189 6 1 1 24 47.38 11.60 1.9189 5 3 2 48 48.69 7.48 1.8703 6 2 0 24 53.68 7.40 1.7073 4 4 4 8 56.06 30.02 1.6404 6 4 0 24 57.23 1.18 1.6097 6 3 3 24 57.23 1.08 1.6097 5 5 2 24 58.38 69.09 1.5807 6 4 2 48 62.85 12.62 1.4786 8 0 0 6 63.94 1.06 1.4560 7 4 1 48 71.31 14.07 1.3225 8 4 0 24 73.36 16.76 1.2906 8 4 2 48 75.38 10.63 1.2610 6 6 4 24 80.36 1.03 1.1949 8 5 3 48 89.16 8.39 1.0983 8 6 4 48 89.16 5.39 1.0983 10 4 0 24 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.