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 *** *********************** OLGITE 3, f-fillowite (Ba,Sr)(Na,Sr,La)(2)Na[PO(4)](2) Hexagonal P 3(-)m1 Z = 1 R =0.258 NR =233 31 .8 .1907 Ref.Str.: E. Sokolova, F.C. Hawthorne, A.P. Khomaykov (2005) * Canad. Mineral., 43, 1521-1526 Reserv: There are U(ij) in the article. The specimen from Lovozero alkaline massif, Kola Peninsula, Russia. D.T.N. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 5.5492 alpha = 90.0 b = 5.5492 beta = 90.0 c = 7.0286 gamma = 120.0 Unit cell volume (cub. angs.) = 187.44 Molar volume ( cub.cm/mol.) = 112.9 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0 0.0 0.5 0.0 Ba = 0.88, Sr = 0.12 2 0.3333 0.6667 0.1632 0.0 Na = 0.62, Sr = 0.33, La = 0.05 3 0.0 0.0 0.0 0.0 Na = 0.96, Ca = 0.04 4 0.3333 0.6667 0.7173 0.0 P = 1.00 5 0.3706 0.1853 0.2048 0.0 O = 1.00 6 0.3333 0.6667 0.5023 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 0.5 2 2 0.3333 0.6667 0.1632 3 3 0.0 0.0 0.0 4 4 0.3333 0.6667 0.7173 5 5 0.3706 0.1853 0.2048 6 6 0.3333 0.6667 0.5023 7 5 0.8147 0.1853 0.2048 8 5 0.8147 0.6294 0.2048 9 2 0.6667 0.3333 0.8368 10 4 0.6667 0.3333 0.2827 11 5 0.6294 0.8147 0.7952 12 6 0.6667 0.3333 0.4977 13 5 0.1853 0.8147 0.7952 14 5 0.1853 0.3706 0.7952 X-ray density (g/cm cub.) = 3.94 MU (1/cm) = 541.833 Mass attenuation coefficient (cm**2/g) = 137.419 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Ba ,Sr 3.288 12 2.7344 5 3.204 6 3.2036 6 3.204 6 2.7344 5 2.7344 5 2.7344 5 3.204 6 3.2036 6 3.204 6 2.7344 5 2.7344 5 2 Na ,Sr ,La 3.072 10 2.7954 5 2.796 5 2.3834 6 2.7957 5 2.7957 5 2.796 5 2.7954 5 2.9521 5 2.9519 5 2.9521 5 3 Na ,Ca 2.88 6 2.29 5 2.2899 5 2.29 5 2.29 5 2.2899 5 2.29 5 4 P 2.232 4 1.5111 6 1.5247 5 1.5243 5 1.5247 5 5 O 3.264 5 2.4644 5 3.0848 5 2.4644 5 3.0848 5 2.5026 6 6 O 3.264 6 2.5026 5 3.2037 6 3.2046 6 3.2037 6 2.5024 5 2.5026 5 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 0 0 1 6.292 12.584 0.071 163.55 2 25.9 622.3 2 1 0 0 9.223 18.447 0.104 74.92 6 19.0 464.0 3 1 0 -1 11.196 22.392 0.126 50.15 6 44.6 1701.2 4 1 0 1 11.196 22.392 0.126 50.15 6 28.5 697.8 5 0 0 2 12.661 25.322 0.142 38.77 2 5.1 5.6 6 1 0 -2 15.756 31.512 0.176 24.33 6 91.8 3498.7 7 1 0 2 15.756 31.512 0.176 24.33 6 35.4 522.0 8 1 1 0 16.118 32.236 0.18 23.17 6 111.0 4877.5 9 1 1 1 17.366 34.731 0.194 19.71 12 34.1 781.2 10 2 0 0 18.697 37.394 0.208 16.76 6 1.0 0.3 11 0 0 3 19.195 38.389 0.213 15.81 2 89.5 721.0 12 2 0 -1 19.803 39.605 0.22 14.76 6 69.9 1232.9 13 2 0 1 19.803 39.605 0.22 14.76 6 5.2 6.7 14 1 1 2 20.715 41.429 0.23 13.35 12 32.7 487.3 15 1 0 -3 21.455 42.909 0.237 12.34 6 6.3 8.3 16 1 0 3 21.455 42.909 0.237 12.34 6 39.3 325.6 17 2 0 -2 22.851 45.702 0.252 10.71 6 25.5 119.1 18 2 0 2 22.851 45.702 0.252 10.71 6 113.4 2351.3 19 2 1 0 25.092 50.184 0.275 8.66 12 27.0 215.1 20 1 1 3 25.487 50.974 0.279 8.35 12 52.1 774.6 21 2 1 -1 25.976 51.953 0.284 8.0 12 24.2 160.7 22 2 1 1 25.976 51.953 0.284 8.0 12 31.5 271.0 23 0 0 4 26.0 52.0 0.285 7.98 2 59.1 158.6 24 2 0 -3 27.335 54.67 0.298 7.12 6 6.7 5.4 25 2 0 3 27.335 54.67 0.298 7.12 6 5.6 3.9 26 1 0 -4 27.824 55.647 0.303 6.84 6 18.3 39.1 27 1 0 4 27.824 55.647 0.303 6.84 6 64.8 490.4 28 2 1 -2 28.513 57.027 0.31 6.47 12 71.7 1135.1 29 2 1 2 28.513 57.027 0.31 6.47 12 18.0 71.8 30 3 0 0 28.741 57.482 0.312 6.36 6 87.6 833.9 31 3 0 -1 29.55 59.1 0.32 5.97 6 17.1 29.8 32 3 0 1 29.55 59.1 0.32 5.97 6 37.0 139.6 33 1 1 4 31.257 62.515 0.337 5.27 12 41.2 305.3 34 3 0 -2 31.901 63.801 0.343 5.04 6 31.6 86.0 35 3 0 2 31.901 63.801 0.343 5.04 6 21.3 38.9 36 2 1 -3 32.452 64.904 0.348 4.86 12 6.7 7.5 37 2 1 3 32.452 64.904 0.348 4.86 12 36.3 218.4 38 2 0 -4 32.893 65.786 0.353 4.72 6 79.0 502.2 39 2 0 4 32.893 65.786 0.353 4.72 6 10.7 9.2 40 0 0 5 33.227 66.455 0.356 4.62 2 16.6 7.2 41 2 2 0 33.727 67.454 0.36 4.47 6 106.5 866.4 42 2 2 1 34.468 68.936 0.367 4.28 12 18.2 48.5 43 1 0 -5 34.815 69.629 0.371 4.19 6 50.1 179.8 44 1 0 5 34.815 69.629 0.371 4.19 6 8.8 5.5 45 3 1 0 35.304 70.607 0.375 4.07 12 13.7 26.0 46 3 0 -3 35.627 71.254 0.378 4.0 6 49.3 165.9 47 3 0 3 35.627 71.254 0.378 4.0 6 37.8 97.8 48 3 1 -1 36.03 72.06 0.382 3.91 12 29.0 112.8 49 3 1 1 36.03 72.06 0.382 3.91 12 27.0 97.1 50 2 2 2 36.651 73.301 0.387 3.79 12 4.3 2.4 51 2 1 -4 37.584 75.167 0.396 3.61 12 13.9 23.9 52 2 1 4 37.584 75.167 0.396 3.61 12 64.7 516.1 53 1 1 5 37.899 75.798 0.399 3.56 12 40.5 199.6 54 3 1 -2 38.176 76.352 0.401 3.52 12 25.0 75.0 55 3 1 2 38.176 76.352 0.401 3.52 12 69.8 584.3 56 2 0 -5 39.408 78.817 0.412 3.33 6 4.5 1.2 57 2 0 5 39.408 78.817 0.412 3.33 6 53.3 161.9 58 4 0 0 39.876 79.753 0.416 3.27 6 7.1 2.8 59 2 2 3 40.186 80.373 0.419 3.23 12 57.1 359.3 60 4 0 -1 40.574 81.148 0.422 3.19 6 12.2 8.1 61 4 0 1 40.574 81.148 0.422 3.19 6 44.8 109.4 62 3 0 -4 40.593 81.186 0.422 3.18 6 28.8 45.0 63 3 0 4 40.593 81.186 0.422 3.18 6 42.7 98.9 64 0 0 6 41.114 82.227 0.427 3.13 2 62.2 68.8 65 3 1 -3 41.674 83.347 0.432 3.07 12 28.5 85.2 66 3 1 3 41.674 83.347 0.432 3.07 12 0.2 0.0 67 1 0 -6 42.595 85.189 0.439 2.99 6 27.4 38.2 68 1 0 6 42.595 85.189 0.439 2.99 6 19.4 19.2 69 4 0 -2 42.654 85.307 0.44 2.98 6 79.2 319.2 70 4 0 2 42.654 85.307 0.44 2.98 6 20.2 20.8 71 2 1 -5 43.859 87.719 0.45 2.89 12 38.8 148.6 72 2 1 5 43.859 87.719 0.45 2.89 12 12.1 14.6 73 3 2 0 44.319 88.639 0.454 2.87 12 8.2 6.6 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 0 0 1 6.292 12.584 7.0286 622.3 12.8 12.9 5.6 2 1 0 0 9.223 18.447 4.80575 464.0 9.5 9.6 5.6 3 1 0 1 11.196 22.392 3.96709 2399.0 49.2 49.6 5.6 4 1 0 2 15.756 31.512 2.83674 4020.6 82.4 82.5 5.6 5 1 1 0 16.118 32.236 2.7746 4877.5 100.0 100.0 5.6 6 1 1 1 17.366 34.731 2.58079 781.2 16.0 16.0 5.7 7 0 0 3 19.195 38.389 2.34287 721.0 14.8 14.7 5.7 8 2 0 1 19.803 39.605 2.27368 1239.7 25.4 25.2 5.7 9 1 1 2 20.715 41.429 2.17769 487.3 10.0 9.9 5.7 10 1 0 3 21.455 42.909 2.10594 333.9 6.8 6.8 5.7 11 2 0 2 22.851 45.702 1.98354 2470.4 50.6 50.0 5.7 12 2 1 0 25.092 50.184 1.8164 215.1 4.4 4.3 5.7 13 1 1 3 25.487 50.974 1.79006 774.6 15.9 15.6 5.8 14 2 1 1 25.976 51.953 1.75863 590.3 12.1 11.9 5.8 15 1 0 4 27.824 55.647 1.6503 529.5 10.9 10.6 5.8 16 2 1 2 28.513 57.027 1.61361 1206.9 24.7 24.1 5.8 17 3 0 0 28.741 57.482 1.60192 833.9 17.1 16.6 5.8 18 3 0 1 29.55 59.1 1.56186 169.4 3.5 3.4 5.8 19 1 1 4 31.257 62.515 1.4845 305.3 6.3 6.0 5.8 20 3 0 2 31.901 63.801 1.45763 124.9 2.6 2.5 5.9 21 2 1 3 32.452 64.904 1.43551 225.9 4.6 4.5 5.9 22 2 0 4 32.893 65.786 1.41837 511.4 10.5 10.1 5.9 23 2 2 0 33.727 67.454 1.3873 866.4 17.8 17.0 5.9 24 1 0 5 34.815 69.629 1.34919 185.3 3.8 3.6 5.9 25 3 0 3 35.627 71.254 1.32236 263.7 5.4 5.1 5.9 26 3 1 1 36.03 72.06 1.30954 209.8 4.3 4.1 5.9 27 2 1 4 37.584 75.167 1.26292 540.0 11.1 10.4 6.0 28 1 1 5 37.899 75.798 1.25397 199.6 4.1 3.9 6.0 29 3 1 2 38.176 76.352 1.24625 659.4 13.5 12.7 6.0 30 2 0 5 39.408 78.817 1.21334 163.1 3.3 3.1 6.0 31 2 2 3 40.186 80.373 1.19372 359.3 7.4 6.9 6.0 32 3 0 4 40.593 81.186 1.18381 261.4 5.4 5.0 6.1 33 0 0 6 41.114 82.227 1.17143 68.8 1.4 1.3 6.1 34 3 1 3 41.674 83.347 1.15852 85.2 1.7 1.6 6.1 35 1 0 6 42.595 85.189 1.13811 57.4 1.2 1.1 6.1 36 4 0 2 42.654 85.307 1.13684 340.0 7.0 6.4 6.1 37 2 1 5 43.859 87.719 1.11169 163.2 3.3 3.1 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) |