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 *** *********************** TRIPUHYITE 4, t-bystromite, g-bystromite FeSbO(4) Tetragonal P 4(2)/mnm Z = 1 P4(2)/mnm 22 .12 .1906 Ref.Str.: Basso R., Cabella R., Lucchetti G., Marescotti P., Martinelli A. (2003) * Neues Jb. Mineral., Mh., 407-420 Reserv: from Djebel Nador, Algeria. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 4.6353 alpha = 90.0 b = 4.6353 beta = 90.0 c = 3.0694 gamma = 90.0 Unit cell volume (cub. angs.) = 65.95 Molar volume ( cub.cm/mol.) = 39.72 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 Fe = 0.5 , Sb = 0.5 2 0.302 0.302 0.0 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 0.302 0.302 0.0 3 2 0.698 0.698 0.0 4 1 0.5 0.5 0.5 5 2 0.198 0.802 0.5 6 2 0.802 0.198 0.5 X-ray density (g/cm cub.) = 6.08 MU (1/cm) = 1301.12 Mass attenuation coefficient (cm**2/g) = 213.964 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Fe ,Sb 2.712 6 1.9797 2 1.9797 2 2.01 2 2.01 2 2.01 2 2.01 2 2 O 3.264 11 3.0694 2 3.0694 2 2.5959 2 2.8212 2 2.8212 2 2.8212 2 2.8212 2 2.8212 2 2.8212 2 2.8212 2 2.8212 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 1 1 0 15.837 31.673 0.153 24.07 4 68.3 10315.0 2 1 0 1 20.457 40.915 0.195 13.73 8 54.1 7395.1 3 2 0 0 22.702 45.403 0.216 10.87 4 42.5 1806.8 4 1 1 1 23.531 47.061 0.223 10.02 8 18.8 650.3 5 2 1 0 25.562 51.124 0.241 8.3 8 11.4 198.0 6 2 1 1 31.377 62.755 0.291 5.23 16 57.2 6299.0 7 2 2 0 33.079 66.157 0.305 4.66 4 61.9 1644.3 8 0 0 2 35.649 71.299 0.326 4.0 2 65.2 780.6 9 3 1 0 37.605 75.21 0.341 3.61 8 45.1 1350.9 10 2 2 1 38.222 76.445 0.346 3.51 8 5.2 17.6 11 1 1 2 40.057 80.114 0.36 3.25 8 48.9 1428.4 12 3 0 1 40.399 80.798 0.362 3.21 8 58.5 2016.5 13 3 1 1 42.549 85.099 0.378 2.99 16 6.8 50.3 14 3 2 0 44.087 88.174 0.389 2.88 8 4.2 9.4 15 2 0 2 44.348 88.697 0.391 2.86 8 35.4 661.2 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 1 1 0 15.837 31.673 3.27767 10315.0 100.0 100.0 5.6 2 1 0 1 20.457 40.915 2.55919 7395.1 71.7 71.1 5.7 3 2 0 0 22.702 45.403 2.31766 1806.8 17.5 17.3 5.7 4 1 1 1 23.531 47.061 2.24041 650.3 6.3 6.2 5.7 5 2 1 0 25.562 51.124 2.07298 198.0 1.9 1.9 5.8 6 2 1 1 31.377 62.755 1.71789 6299.0 61.1 58.9 5.9 7 2 2 0 33.079 66.157 1.63884 1644.3 15.9 15.3 5.9 8 0 0 2 35.649 71.299 1.5347 780.6 7.6 7.2 5.9 9 3 1 0 37.605 75.21 1.46582 1350.9 13.1 12.4 6.0 10 1 1 2 40.057 80.114 1.38989 1428.4 13.8 12.9 6.0 11 3 0 1 40.399 80.798 1.38011 2016.5 19.5 18.2 6.1 12 2 0 2 44.348 88.697 1.27959 661.2 6.4 5.9 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) |