data_global _chemical_name_mineral 'Fluorcalciobritholite' loop_ _publ_author_name 'Pekov I V' 'Pasero M' 'Yaskovskaya A N' 'Chukanov N V' 'Pushcharovsky D Y' 'Merlino S' 'Zubkova N V' 'Kononkova N N' 'Men'shikov Y P' 'Zadov A E' _journal_name_full 'European Journal of Mineralogy' _journal_volume 19 _journal_year 2007 _journal_page_first 95 _journal_page_last 103 _publ_section_title ; Fluorcalciobritholite, (Ca,REE)5[(Si,P)O4]3F, a new mineral: description and crystal chemistry ; _database_code_amcsd 0007198 _chemical_compound_source 'Mount Kukisvumchorr, Khibiny alkaline complex, Kola Peninsula, Russia' _chemical_formula_sum 'Ca3.006 Ce.931 La.542 Nd.261 Y.179 Pr.079 (Si1.95 P1.05) O12 F' _cell_length_a 9.580 _cell_length_b 9.580 _cell_length_c 6.985 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 555.173 _exptl_crystal_density_diffrn 4.123 _symmetry_space_group_name_H-M 'P 63/m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' 'y,-x+y,-z' '-y,x-y,z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x-y,x,-z' '-x+y,-x,z' '-y,x-y,1/2-z' 'y,-x+y,1/2+z' '-x,-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 Ca1 0.33333 0.66667 0.00060 0.65400 0.03110 Ce1 0.33333 0.66667 0.00060 0.16100 0.03110 La1 0.33333 0.66667 0.00060 0.09400 0.03110 Nd1 0.33333 0.66667 0.00060 0.04500 0.03110 Y1 0.33333 0.66667 0.00060 0.03100 0.03110 Pr1 0.33333 0.66667 0.00060 0.01400 0.03110 Ca2 0.24870 0.01070 0.25000 0.56600 0.03300 Ce2 0.24870 0.01070 0.25000 0.20300 0.03300 La2 0.24870 0.01070 0.25000 0.11800 0.03300 Nd2 0.24870 0.01070 0.25000 0.05700 0.03300 Y2 0.24870 0.01070 0.25000 0.03900 0.03300 Pr2 0.24870 0.01070 0.25000 0.01700 0.03300 Si 0.37180 0.40010 0.25000 0.65000 0.02610 P 0.37180 0.40010 0.25000 0.35000 0.02610 O1 0.46770 0.59060 0.25000 1.00000 0.04300 O2 0.48660 0.32550 0.25000 1.00000 0.03700 O3 0.25630 0.34320 0.43100 1.00000 0.05400 F 0.00000 0.00000 0.25000 1.00000 0.09200 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 Ca1 0.03670 0.03670 0.02000 0.01830 0.00000 0.00000 Ce1 0.03670 0.03670 0.02000 0.01830 0.00000 0.00000 La1 0.03670 0.03670 0.02000 0.01830 0.00000 0.00000 Nd1 0.03670 0.03670 0.02000 0.01830 0.00000 0.00000 Y1 0.03670 0.03670 0.02000 0.01830 0.00000 0.00000 Pr1 0.03670 0.03670 0.02000 0.01830 0.00000 0.00000 Ca2 0.03660 0.03100 0.02580 0.01260 0.00000 0.00000 Ce2 0.03660 0.03100 0.02580 0.01260 0.00000 0.00000 La2 0.03660 0.03100 0.02580 0.01260 0.00000 0.00000 Nd2 0.03660 0.03100 0.02580 0.01260 0.00000 0.00000 Y2 0.03660 0.03100 0.02580 0.01260 0.00000 0.00000 Pr2 0.03660 0.03100 0.02580 0.01260 0.00000 0.00000 Si 0.02800 0.03100 0.02200 0.01700 0.00000 0.00000 P 0.02800 0.03100 0.02200 0.01700 0.00000 0.00000 O1 0.03700 0.03200 0.05600 0.01400 0.00000 0.00000 O2 0.03600 0.05700 0.03000 0.03200 0.00000 0.00000 O3 0.04800 0.09800 0.03400 0.04900 0.01300 0.02800 F 0.05800 0.05800 0.15900 0.02900 0.00000 0.00000