Gaudefroyite Hoffmann C, Armbruster T, Kunz M European Journal of Mineralogy 9 (1997) 7-19 Structure refinement of (001) disordered gaudefroyite Ca4Mn3[(BO3)3(CO3)O3]: Jahn-Teller-distortion in edge-sharing chains of MnO6 octahedra _database_code_amcsd 0006635 CELL PARAMETERS: 10.5890 10.5890 5.8910 90.000 90.000 120.000 SPACE GROUP: P6_3/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 572.044 Density (g/cm3): 3.538 MAX. ABS. INTENSITY / VOLUME**2: 16.46084010 RIR: 1.515 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.64 40.55 9.1703 1 0 0 6 16.74 8.14 5.2945 1 1 0 6 17.90 14.82 4.9564 1 0 1 12 19.36 69.87 4.5852 2 0 0 6 22.58 2.40 3.9378 1 1 1 12 24.60 5.12 3.6183 2 0 1 12 25.70 1.64 3.4661 1 2 0 6 29.22 11.79 3.0568 3 0 0 6 29.91 36.19 2.9873 1 2 1 12 29.91 7.66 2.9873 2 1 1 12 31.91 3.60 2.8044 1 0 2 12 33.01 21.54 2.7133 3 0 1 12 33.86 64.41 2.6472 2 2 0 6 35.29 7.27 2.5434 1 3 0 6 35.29 4.30 2.5434 3 1 0 6 36.25 100.00 2.4782 2 0 2 12 37.24 4.23 2.4147 2 2 1 12 38.56 13.12 2.3351 1 3 1 12 38.56 4.11 2.3351 3 1 1 12 39.30 5.04 2.2926 4 0 0 6 40.18 10.81 2.2445 1 2 2 12 40.18 6.08 2.2445 2 1 2 12 42.30 7.94 2.1365 4 0 1 12 42.63 7.50 2.1210 3 0 2 12 42.99 5.87 2.1038 2 3 0 6 42.99 5.78 2.1038 3 2 0 6 45.80 3.67 1.9813 2 3 1 12 47.21 12.79 1.9250 3 1 2 12 47.34 6.52 1.9201 1 0 3 12 48.02 6.75 1.8948 1 4 1 12 48.02 1.31 1.8948 4 1 1 12 49.51 1.66 1.8411 1 1 3 12 49.71 9.80 1.8341 5 0 0 6 50.44 43.98 1.8092 4 0 2 12 50.56 2.50 1.8051 2 0 3 12 52.24 8.60 1.7512 5 0 1 12 52.83 7.51 1.7330 4 2 0 6 53.53 2.53 1.7120 2 3 2 12 53.53 9.88 1.7120 3 2 2 12 53.64 3.14 1.7085 1 2 3 12 53.64 1.55 1.7085 2 1 3 12 55.25 2.26 1.6626 4 2 1 12 55.52 1.45 1.6553 1 4 2 12 55.52 5.10 1.6553 4 1 2 12 55.63 3.11 1.6521 3 0 3 12 55.82 2.30 1.6470 1 5 0 6 55.82 4.80 1.6470 5 1 0 6 58.16 5.68 1.5862 5 1 1 12 59.47 1.09 1.5543 1 3 3 12 60.58 13.75 1.5284 6 0 0 6 61.23 2.81 1.5139 3 3 2 12 61.51 1.52 1.5076 3 4 0 6 61.51 2.40 1.5076 4 3 0 6 62.15 14.12 1.4937 2 4 2 12 62.15 20.64 1.4937 4 2 2 12 63.13 9.90 1.4727 0 0 4 2 63.34 1.52 1.4684 5 2 0 6 63.72 1.90 1.4605 3 4 1 12 64.03 1.88 1.4541 1 0 4 12 64.86 2.56 1.4376 1 5 2 12 64.96 1.83 1.4355 2 3 3 12 65.82 1.50 1.4189 1 1 4 12 66.71 2.15 1.4022 2 0 4 12 69.26 3.96 1.3566 6 0 2 12 70.22 2.98 1.3404 5 0 3 12 71.24 7.60 1.3236 4 4 0 6 72.10 1.18 1.3100 3 5 0 6 72.78 1.14 1.2994 4 2 3 12 73.60 12.77 1.2870 2 2 4 12 74.44 1.30 1.2745 1 3 4 12 74.63 1.67 1.2717 2 6 0 6 74.63 1.56 1.2717 6 2 0 6 75.21 4.82 1.2633 1 6 2 12 75.31 1.92 1.2619 1 5 3 12 75.31 3.06 1.2619 5 1 3 12 76.95 1.36 1.2391 4 0 4 12 80.28 1.70 1.1958 3 4 3 12 82.65 2.65 1.1675 2 6 2 12 82.65 6.28 1.1675 6 2 2 12 84.34 1.98 1.1483 5 0 4 12 86.71 1.98 1.1229 1 7 2 12 86.78 1.80 1.1223 4 2 4 12 87.43 1.57 1.1155 1 2 5 12 89.21 1.68 1.0979 5 1 4 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.