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 *** *********************** HAUSMANNITE 1, td-spinel, f-oxospinelides, sf-spinel, g-donathite Mn(3)O(4) Tetragonal I 4(1)/amd Z = 4 I4(1)/amd 23 .10 .1989 Ref.Str.: K. Satomi (1961) * J. Phys. Soc. Japan, 16, 258-265 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 5.76 alpha = 90.0 b = 5.76 beta = 90.0 c = 9.46 gamma = 90.0 Unit cell volume (cub. angs.) = 313.86 Molar volume ( cub.cm/mol.) = 47.26 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0 0.0 0.0 0.0 Mn = 1.00 2 0.0 0.25 0.625 0.0 Mn = 1.00 3 0.0 0.214 0.384 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0 0.0 0.0 2 2 0.0 0.25 0.625 3 3 0.0 0.214 0.384 4 2 0.25 0.0 0.375 5 2 0.0 0.75 0.625 6 2 0.75 0.0 0.375 7 3 0.214 0.0 0.616 8 3 0.0 0.786 0.384 9 3 0.786 0.0 0.616 10 1 0.5 0.0 0.75 11 1 0.5 0.5 0.5 12 1 0.0 0.5 0.25 13 2 0.5 0.25 0.125 14 2 0.25 0.5 0.875 15 3 0.286 0.0 0.134 16 3 0.5 0.286 0.884 17 3 0.214 0.5 0.634 18 2 0.5 0.75 0.125 19 2 0.75 0.5 0.875 20 3 0.5 0.214 0.366 21 3 0.286 0.5 0.116 22 3 0.0 0.286 0.866 23 3 0.714 0.0 0.134 24 3 0.5 0.714 0.884 25 3 0.786 0.5 0.634 26 3 0.5 0.786 0.366 27 3 0.714 0.5 0.116 28 3 0.0 0.714 0.866 X-ray density (g/cm cub.) = 4.84 MU (1/cm) = 1009.306 Mass attenuation coefficient (cm**2/g) = 208.505 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Mn 2.724 4 2.0786 3 2.0786 3 2.0786 3 2.0786 3 2 Mn 2.724 6 2.2893 3 1.8974 3 1.8974 3 1.8974 3 2.2893 3 1.8974 3 3 O 3.264 9 2.8028 3 2.4653 3 2.8028 3 3.1347 3 3.1347 3 2.885 3 2.885 3 3.1347 3 3.1347 3 X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 1 0 1 9.008 18.015 0.102 78.66 8 42.1 1134.6 2 1 1 2 14.452 28.905 0.162 29.29 8 81.9 1594.2 3 2 0 0 15.513 31.026 0.174 25.16 4 82.6 697.3 4 1 0 3 16.17 32.34 0.181 23.01 8 133.4 3327.2 5 2 1 1 18.054 36.108 0.201 18.1 16 118.4 4119.8 6 2 0 2 18.248 36.497 0.203 17.68 8 62.5 560.7 7 0 0 4 19.008 38.016 0.211 16.16 2 158.0 819.2 8 2 2 0 22.225 44.45 0.246 11.4 4 139.0 894.7 9 2 1 3 22.713 45.426 0.251 10.85 16 5.3 4.9 10 3 0 1 24.165 48.33 0.266 9.43 8 1.9 0.3 11 2 0 4 24.926 49.851 0.274 8.79 8 61.0 265.9 12 1 0 5 25.374 50.748 0.278 8.44 8 126.8 1102.1 13 3 1 2 26.947 53.893 0.294 7.36 16 60.5 437.4 14 3 0 3 28.015 56.03 0.305 6.74 8 78.0 332.8 15 3 2 1 29.274 58.549 0.317 6.1 16 122.4 1483.5 16 2 2 4 29.944 59.887 0.324 5.8 8 229.2 2474.1 17 2 1 5 30.341 60.681 0.328 5.63 16 18.1 29.9 18 1 1 6 31.593 63.185 0.34 5.15 8 52.3 114.2 19 3 1 4 32.261 64.522 0.346 4.92 16 5.5 2.4 20 4 0 0 32.338 64.677 0.347 4.89 4 213.7 907.4 21 3 2 3 32.719 65.437 0.351 4.77 16 29.4 67.1 22 2 0 6 33.846 67.693 0.362 4.44 8 59.5 127.8 23 4 1 1 33.873 67.747 0.362 4.43 16 23.0 38.0 24 4 0 2 33.997 67.995 0.363 4.4 8 10.3 3.8 25 3 0 5 34.86 69.721 0.371 4.18 8 82.3 229.8 26 1 0 7 35.835 71.67 0.38 3.95 8 10.7 3.7 27 3 3 2 36.176 72.353 0.383 3.88 8 48.3 73.7 28 4 2 0 36.731 73.461 0.388 3.77 8 44.3 60.2 29 4 1 3 37.09 74.18 0.391 3.7 16 90.2 489.6 30 4 2 2 38.304 76.608 0.402 3.49 16 63.5 228.6 31 4 0 4 38.776 77.551 0.407 3.42 8 87.5 213.0 32 3 2 5 39.128 78.257 0.41 3.37 16 34.8 66.3 33 2 1 7 40.065 80.129 0.418 3.25 16 70.0 258.4 34 3 1 6 40.252 80.505 0.419 3.22 16 51.5 139.0 35 0 0 8 40.647 81.294 0.423 3.18 2 185.6 222.3 36 4 3 1 42.344 84.689 0.437 3.01 16 0.6 0.0 37 5 0 1 42.344 84.689 0.437 3.01 8 35.0 29.9 38 4 2 4 42.921 85.842 0.442 2.96 16 52.4 131.8 39 4 1 5 43.267 86.534 0.445 2.93 16 87.1 361.8 40 3 0 7 44.188 88.375 0.452 2.87 8 7.3 1.2 41 5 1 2 44.512 89.025 0.455 2.85 16 47.9 106.5 42 2 0 8 44.763 89.525 0.457 2.84 8 47.0 50.9 X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (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 1 0 1 9.008 18.015 4.91978 1134.6 27.5 27.9 5.6 2 1 1 2 14.452 28.905 3.08638 1594.2 38.7 38.9 5.6 3 2 0 0 15.513 31.026 2.88 697.3 16.9 17.0 5.6 4 1 0 3 16.17 32.34 2.76597 3327.2 80.8 81.0 5.6 5 2 1 1 18.054 36.108 2.48545 4119.8 100.0 100.0 5.7 6 2 0 2 18.248 36.497 2.45989 560.7 13.6 13.6 5.7 7 0 0 4 19.008 38.016 2.365 819.2 19.9 19.8 5.7 8 2 2 0 22.225 44.45 2.03647 894.7 21.7 21.5 5.7 9 2 0 4 24.926 49.851 1.82772 265.9 6.5 6.4 5.7 10 1 0 5 25.374 50.748 1.79751 1102.1 26.8 26.3 5.8 11 3 1 2 26.947 53.893 1.69979 437.4 10.6 10.4 5.8 12 3 0 3 28.015 56.03 1.63993 332.8 8.1 7.9 5.8 13 3 2 1 29.274 58.549 1.57523 1483.5 36.0 35.1 5.8 14 2 2 4 29.944 59.887 1.54319 2474.1 60.1 58.4 5.8 15 1 1 6 31.593 63.185 1.47034 114.2 2.8 2.7 5.9 16 4 0 0 32.338 64.677 1.44 907.4 22.0 21.3 5.9 17 3 2 3 32.719 65.437 1.42509 67.1 1.6 1.6 5.9 18 2 0 6 33.846 67.693 1.38298 165.7 4.0 3.9 5.9 19 3 0 5 34.86 69.721 1.34764 229.8 5.6 5.3 5.9 20 3 3 2 36.176 72.353 1.30495 73.7 1.8 1.7 5.9 21 4 2 0 36.731 73.461 1.28798 60.2 1.5 1.4 6.0 22 4 1 3 37.09 74.18 1.27727 489.6 11.9 11.3 6.0 23 4 2 2 38.304 76.608 1.24273 228.6 5.5 5.2 6.0 24 4 0 4 38.776 77.551 1.22995 213.0 5.2 4.9 6.0 25 3 2 5 39.128 78.257 1.22061 66.3 1.6 1.5 6.0 26 2 1 7 40.065 80.129 1.19673 258.4 6.3 5.9 6.0 27 3 1 6 40.252 80.505 1.1921 139.0 3.4 3.2 6.1 28 0 0 8 40.647 81.294 1.1825 222.3 5.4 5.0 6.1 29 4 2 4 42.921 85.842 1.13111 131.8 3.2 3.0 6.1 30 4 1 5 43.267 86.534 1.12384 361.8 8.8 8.1 6.1 31 5 1 2 44.512 89.025 1.09873 106.5 2.6 2.4 6.2 32 2 0 8 44.763 89.525 1.09388 50.9 1.2 1.1 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) |