Coalingite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110197 Pastor-Rodriguez J, Taylor H F W Mineralogical Magazine 38 (1971) 286-294 Crystal structure of coalingite Locality: New Idria serpentinite, Coalinga, California, USA Note: occupancies altered to match formula _database_code_amcsd 0014454 CELL PARAMETERS: 3.1820 3.1820 37.0200 90.000 90.000 120.000 SPACE GROUP: R-3m ATOM X Y Z OCCUPANCY ISO(B) Mg 0.33333 0.66667 0.10470 0.870 0.800 Fe 0.33333 0.66667 0.10470 0.100 0.700 Mn 0.33333 0.66667 0.10470 0.020 0.700 Fe 0.33333 0.66667 0.10470 0.010 0.700 OH 0.00000 0.00000 0.07600 1.000 6.100 OH 0.66667 0.33333 0.13200 1.000 2.500 C 0.33333 0.66667 0.33333 0.030 0.300 Oc 0.10500 0.21000 0.00000 0.030 3.000 Wa 0.10500 0.21000 0.00000 0.090 3.000 OH 0.10500 0.21000 0.00000 0.040 3.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 2 +/- 2 +/- 33 MAX. ABS. INTENSITY / VOLUME**2: 15.98392950 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.16 100.00 12.3400 0 0 3 14.36 55.43 6.1700 0 0 6 21.60 43.02 4.1133 0 0 9 32.58 1.01 2.7481 1 0 1 32.86 13.50 2.7257 0 1 2 34.74 11.95 2.5826 0 1 5 38.00 47.39 2.3677 0 1 8 42.39 9.87 2.1321 0 1 11 47.66 15.83 1.9080 0 1 14 51.58 11.24 1.7720 1 0 16 53.64 10.11 1.7086 0 1 17 57.97 13.55 1.5910 1 1 0 58.49 3.80 1.5779 1 1 3 60.05 5.63 1.5406 1 1 6 62.60 7.09 1.4839 1 1 9 64.93 3.08 1.4361 1 0 22 67.38 1.50 1.3899 0 1 23 68.10 1.10 1.3769 0 2 1 71.43 4.58 1.3206 2 0 8 72.46 4.91 1.3044 1 0 25 78.23 1.41 1.2219 2 0 14 81.26 1.59 1.1838 0 2 16 82.92 2.13 1.1644 2 0 17 88.23 1.29 1.1075 1 1 24 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.