Institute of Experimental Mineralogy Russian Academy of Sciences ------------------------------------------------- 142432, Chernogolovka, Moscow district A.V. Chichagov +7(496)52-22320 *** *** W W W - X R A Y P O L *** *********************** MONTROSEITE 1, t-diaspore, f-diaspore, g-diaspore (V,Fe)O(OH) Orthorhombic P bnm Z = 4 Pbnm 12 .5 .1988 Ref.Str.: Evans H.T., Mrose M.E. (1955) * Amer. Mineral., 40, 861-875 Ref.Composition & Lattice: Weeks Alice D., Cisney Evelyn A., Sherwood A.M. (1953) * Amer.Mineral., 38, 1235-1241 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 4.82 alpha = 90.0 b = 9.48 beta = 90.0 c = 2.93 gamma = 90.0 Unit cell volume (cub. angs.) = 133.88 Molar volume ( cub.cm/mol.) = 20.16 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.9483 0.1455 0.25 0.0 V = 1.00 2 0.301 0.803 0.25 0.0 O = 1.00 3 0.802 0.946 0.25 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.9483 0.1455 0.25 2 2 0.301 0.803 0.25 3 3 0.802 0.946 0.25 4 1 0.0517 0.8545 0.75 5 2 0.699 0.197 0.75 6 3 0.198 0.054 0.75 7 1 0.5517 0.6455 0.25 8 2 0.199 0.303 0.25 9 3 0.698 0.446 0.25 10 1 0.4483 0.3545 0.75 11 2 0.801 0.697 0.75 12 3 0.302 0.554 0.75 X-ray density (g/cm cub.) = 4.11 MU (1/cm) = 894.824 Mass attenuation coefficient (cm**2/g) = 217.537 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 V 2.496 6 2.0184 3 1.9567 2 1.9567 2 2.085 3 2.085 3 1.9208 2 2 O 3.264 12 2.93 2 2.93 2 2.7693 3 2.7609 3 2.8381 3 2.8381 3 2.994 2 2.994 2 2.994 2 2.994 2 2.7782 3 2.7782 3 3 O 3.264 10 2.7609 2 2.7693 2 2.93 3 2.93 3 2.8381 2 2.8381 2 2.6149 3 2.6149 3 2.7782 2 2.7782 2 X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 0 2 0 10.877 21.754 0.105 53.26 2 17.8 187.3 2 1 1 0 12.016 24.032 0.116 43.27 4 44.9 1946.8 3 1 2 0 15.347 30.694 0.148 25.75 4 20.1 231.5 4 1 3 0 19.783 39.567 0.189 14.79 4 45.0 669.1 5 1 0 1 20.932 41.863 0.2 13.04 4 19.9 114.9 6 0 2 1 21.032 42.064 0.201 12.9 4 32.3 300.8 7 1 1 1 21.685 43.37 0.207 12.05 8 50.7 1382.5 8 2 0 0 21.786 43.573 0.207 11.92 2 14.2 26.8 9 0 4 0 22.173 44.347 0.211 11.46 2 43.9 246.2 10 2 1 0 22.517 45.033 0.214 11.07 4 12.9 41.1 11 1 2 1 23.83 47.661 0.226 9.73 8 25.9 291.1 12 2 2 0 24.605 49.21 0.233 9.05 4 11.9 28.8 13 1 4 0 24.87 49.741 0.235 8.83 4 46.7 429.8 14 1 3 1 27.116 54.233 0.255 7.26 8 13.1 55.6 15 2 3 0 27.825 55.649 0.261 6.84 4 10.0 15.3 16 0 4 1 29.04 58.08 0.271 6.21 4 28.2 110.3 17 2 1 1 29.323 58.647 0.274 6.08 8 34.7 326.3 18 1 5 0 30.461 60.921 0.283 5.58 4 13.6 23.0 19 2 2 1 31.083 62.167 0.289 5.34 8 59.7 848.0 20 1 4 1 31.311 62.622 0.291 5.25 8 15.8 58.5 21 2 4 0 31.96 63.92 0.296 5.02 4 44.0 217.1 22 2 3 1 33.899 67.798 0.312 4.43 8 32.8 212.0 23 3 1 0 34.378 68.757 0.316 4.3 4 10.2 10.1 24 0 6 0 34.48 68.959 0.316 4.27 2 36.6 63.8 25 3 2 0 36.003 72.006 0.329 3.92 4 41.6 151.5 26 1 5 1 36.283 72.565 0.331 3.86 8 53.9 499.7 27 1 6 0 36.566 73.133 0.333 3.8 4 11.6 11.3 28 2 5 0 36.888 73.777 0.336 3.74 4 38.8 125.8 29 0 0 2 37.629 75.259 0.341 3.61 2 79.7 255.3 30 2 4 1 37.665 75.331 0.342 3.6 8 20.0 64.5 31 3 3 0 38.649 77.298 0.349 3.44 4 41.8 134.0 32 3 0 1 39.414 78.829 0.355 3.33 4 41.4 127.4 33 0 2 2 39.721 79.442 0.357 3.29 4 12.7 11.9 34 3 1 1 39.933 79.867 0.359 3.26 8 15.2 33.7 35 0 6 1 40.029 80.059 0.36 3.25 4 59.8 259.4 36 1 1 2 40.171 80.342 0.361 3.23 8 31.2 140.5 37 3 2 1 41.481 82.962 0.37 3.09 8 21.8 65.5 38 1 2 2 41.717 83.433 0.372 3.06 8 14.8 29.9 39 1 6 1 42.022 84.044 0.374 3.04 8 0.1 0.0 40 3 4 0 42.267 84.534 0.376 3.01 4 5.4 1.9 41 2 5 1 42.332 84.664 0.376 3.01 8 2.6 0.9 42 2 6 0 42.604 85.208 0.378 2.99 4 26.8 48.0 43 1 7 0 43.318 86.635 0.383 2.93 4 44.5 129.4 44 3 3 1 44.04 88.08 0.389 2.88 8 24.5 77.3 45 1 3 2 44.274 88.548 0.39 2.87 8 35.4 160.8 X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (angs.): No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si) ( degree ) (angstrem) *100 *100 1 0 2 0 10.877 21.754 4.74 187.3 9.6 9.6 5.6 2 1 1 0 12.016 24.032 4.29654 1946.8 100.0 100.0 5.6 3 1 2 0 15.347 30.694 3.37962 231.5 11.9 11.8 5.6 4 1 3 0 19.783 39.567 2.6427 669.1 34.4 33.9 5.7 5 1 0 1 20.932 41.863 2.5037 114.9 5.9 5.8 5.7 6 0 2 1 21.032 42.064 2.49229 300.8 15.5 15.2 5.7 7 1 1 1 21.685 43.37 2.4207 1382.5 71.0 69.8 5.7 8 2 0 0 21.786 43.573 2.41 26.8 1.4 1.4 5.7 9 0 4 0 22.173 44.347 2.37 246.2 12.6 12.4 5.7 10 2 1 0 22.517 45.033 2.33571 41.1 2.1 2.1 5.7 11 1 2 1 23.83 47.661 2.21384 291.1 15.0 14.6 5.7 12 2 2 0 24.605 49.21 2.14827 28.8 1.5 1.4 5.7 13 1 4 0 24.87 49.741 2.12681 429.8 22.1 21.5 5.7 14 1 3 1 27.116 54.233 1.9624 55.6 2.9 2.8 5.8 15 0 4 1 29.04 58.08 1.84266 110.3 5.7 5.5 5.8 16 2 1 1 29.323 58.647 1.8264 326.3 16.8 16.2 5.8 17 1 5 0 30.461 60.921 1.7644 23.0 1.2 1.1 5.8 18 2 2 1 31.083 62.167 1.73249 848.0 43.6 41.8 5.8 19 1 4 1 31.311 62.622 1.72117 58.5 3.0 2.9 5.8 20 2 4 0 31.96 63.92 1.68981 217.1 11.2 10.7 5.9 21 2 3 1 33.899 67.798 1.60375 212.0 10.9 10.4 5.9 22 0 6 0 34.48 68.959 1.58 63.8 3.3 3.1 5.9 23 3 2 0 36.003 72.006 1.52163 151.5 7.8 7.3 5.9 24 1 5 1 36.283 72.565 1.5115 499.7 25.7 24.2 6.0 25 2 5 0 36.888 73.777 1.49013 125.8 6.5 6.1 6.0 26 0 0 2 37.629 75.259 1.465 255.3 13.1 12.3 6.0 27 2 4 1 37.665 75.331 1.46381 64.5 3.3 3.1 6.0 28 3 3 0 38.649 77.298 1.43218 134.0 6.9 6.4 6.0 29 3 0 1 39.414 78.829 1.40877 127.4 6.5 6.1 6.0 30 3 1 1 39.933 79.867 1.39346 33.7 1.7 1.6 6.0 31 0 6 1 40.029 80.059 1.39069 259.4 13.3 12.4 6.0 32 1 1 2 40.171 80.342 1.38661 140.5 7.2 6.7 6.0 33 3 2 1 41.481 82.962 1.35039 65.5 3.4 3.1 6.1 34 1 2 2 41.717 83.433 1.34415 29.9 1.5 1.4 6.1 35 2 6 0 42.604 85.208 1.32135 48.0 2.5 2.3 6.1 36 1 7 0 43.318 86.635 1.3038 129.4 6.6 6.1 6.1 37 3 3 1 44.04 88.08 1.28669 77.3 4.0 3.6 6.2 38 1 3 2 44.274 88.548 1.28129 160.8 8.3 7.5 6.2 Reference: Chichagov A.V. et al. Information-Calculating System on Crystal Structure Data of Minerals (MINCRYST) - Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian) |