data_global _chemical_name_mineral 'Peprossiite-(Ce)' loop_ _publ_author_name 'Callegari A' 'Caucia F' 'Mazzi F' 'Oberti R' 'Ottolini L' 'Ungaretti L' _journal_name_full 'American Mineralogist' _journal_volume 85 _journal_year 2000 _journal_page_first 586 _journal_page_last 593 _publ_section_title ; The crystal structure of peprossiite-(Ce), and anhydrous REE and Al mica-like borate with square-pyramidal coordination for Al Sample: Pep2 ; _database_code_amcsd 0002425 _chemical_formula_sum '(La.785 Th.215) Al2 B4 O10.667' _cell_length_a 4.596 _cell_length_b 4.596 _cell_length_c 9.309 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 170.292 _exptl_crystal_density_diffrn 4.162 _symmetry_space_group_name_H-M 'P -6 2 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,z' '-x+y,-x,-z' 'y,x,-z' '-y,x-y,z' 'x-y,-y,z' 'x,y,-z' '-x,-x+y,-z' '-x+y,-x,z' 'y,x,z' '-y,x-y,-z' 'x-y,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy LaM2 0.00000 0.00000 0.00000 0.78500 ThM2 0.00000 0.00000 0.00000 0.21500 AlM1 0.38890 0.00000 0.50000 0.66667 BT 0.33333 0.66667 0.21960 1.00000 O1 0.33333 0.66667 0.37440 1.00000 O2 0.41800 0.00000 0.15920 1.00000 O3 0.00000 0.00000 0.50000 0.66667 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 LaM2 0.00840 0.00840 0.00860 0.00420 0.00000 0.00000 ThM2 0.00840 0.00840 0.00860 0.00420 0.00000 0.00000 AlM1 0.00560 0.00440 0.00960 0.00220 0.00000 0.00000 BT 0.00520 0.00520 0.00820 0.00260 0.00000 0.00000 O1 0.00900 0.00900 0.00780 0.00450 0.00000 0.00000 O2 0.01010 0.00340 0.01490 0.00170 -0.00200 0.00000 O3 0.00300 0.00300 0.01410 0.00150 0.00000 0.00000