data_global _chemical_name_mineral 'Barytolamprophyllite' loop_ _publ_author_name 'Sokolova E' 'Camara F' _journal_name_full 'The Canadian Mineralogist' _journal_volume 46 _journal_year 2008 _journal_page_first 403 _journal_page_last 412 _publ_section_title ; From structure topology to chemical composition. III. Titanium silicates: The crystal chemistry of barytolamprophyllite ; _database_code_amcsd 0006183 _chemical_compound_source 'Mt. Yuksporr, Khibina alkaline massif, Kola Peninsula, Russia' _chemical_formula_sum 'Ba.88 K.61 Sr.33 Ca.13 Ti2.91 Al.03 Fe.35 Nb.01 Na2.09 Mn.28 Mg.05 Si4 O18' _cell_length_a 19.8971 _cell_length_b 7.1165 _cell_length_c 5.4108 _cell_angle_alpha 90 _cell_angle_beta 96.676 _cell_angle_gamma 90 _cell_volume 760.962 _exptl_crystal_density_diffrn 3.511 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv BaAP 0.28240 0.00000 0.26285 0.44000 0.01030 KAP 0.28240 0.00000 0.26285 0.30500 0.01030 SrAP 0.28240 0.00000 0.26285 0.16500 0.01030 CaAP 0.28240 0.00000 0.26285 0.02500 0.01030 TiMH 0.14603 0.00000 0.70520 0.98500 0.00730 AlMH 0.14603 0.00000 0.70520 0.01500 0.00730 TiM1 0.00000 0.50000 0.00000 0.94000 0.02530 Fe3+M1 0.00000 0.50000 0.00000 0.05000 0.02530 NbM1 0.00000 0.50000 0.00000 0.01000 0.02530 NaM2 0.00000 0.00000 0.00000 1.00000 0.01910 NaM3 0.00000 0.26016 0.50000 0.54500 0.01660 Fe2+M3 0.00000 0.26016 0.50000 0.15000 0.01660 Mn2+M3 0.00000 0.26016 0.50000 0.14000 0.01660 CaM3 0.00000 0.26016 0.50000 0.04000 0.01660 MgM3 0.00000 0.26016 0.50000 0.02500 0.01660 Si 0.13981 0.28427 0.20240 1.00000 0.00790 O1 0.44479 0.00000 0.27380 1.00000 0.02510 O2 0.17024 0.18830 0.46390 1.00000 0.01250 O3 0.17064 0.18740 0.96860 1.00000 0.01190 O4 0.17175 0.50000 0.21700 1.00000 0.01030 O5 0.05813 0.29500 0.17050 1.00000 0.01280 O6 0.06071 0.00000 0.66720 1.00000 0.02020 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 BaAP 0.01580 0.00744 0.00770 0.00000 0.00154 0.00000 KAP 0.01580 0.00744 0.00770 0.00000 0.00154 0.00000 SrAP 0.01580 0.00744 0.00770 0.00000 0.00154 0.00000 CaAP 0.01580 0.00744 0.00770 0.00000 0.00154 0.00000 TiMH 0.01030 0.00690 0.00470 0.00000 0.00140 0.00000 AlMH 0.01030 0.00690 0.00470 0.00000 0.00140 0.00000 TiM1 0.03010 0.00600 0.03350 0.00000 -0.02250 0.00000 Fe3+M1 0.03010 0.00600 0.03350 0.00000 -0.02250 0.00000 NbM1 0.03010 0.00600 0.03350 0.00000 -0.02250 0.00000 NaM2 0.02350 0.01730 0.01800 0.00000 0.00930 0.00000 NaM3 0.02300 0.01350 0.01410 0.00000 0.00530 0.00000 Fe2+M3 0.02300 0.01350 0.01410 0.00000 0.00530 0.00000 Mn2+M3 0.02300 0.01350 0.01410 0.00000 0.00530 0.00000 CaM3 0.02300 0.01350 0.01410 0.00000 0.00530 0.00000 MgM3 0.02300 0.01350 0.01410 0.00000 0.00530 0.00000 Si 0.01180 0.00530 0.00680 -0.00010 0.00140 0.00030 O1 0.02300 0.02720 0.02680 0.00000 0.01030 0.00000 O2 0.01820 0.01010 0.00910 0.00040 0.00120 0.00230 O3 0.01780 0.00900 0.00920 -0.00050 0.00330 -0.00280 O4 0.01420 0.00600 0.01070 0.00000 0.00150 0.00000 O5 0.01160 0.01020 0.01620 0.00130 0.00060 0.00020 O6 0.01210 0.03560 0.01330 0.00000 0.00250 0.00000