data_global _chemical_name_mineral 'Bertossaite' loop_ _publ_author_name 'Hatert F' 'Lefevre P' 'Fransolet A M' _journal_name_full 'The Canadian Mineralogist' _journal_volume 49 _journal_year 2011 _journal_page_first 1079 _journal_page_last 1087 _publ_section_title ; The crystal structure of bertossaite, CaLi2[Al4(PO4)4(OH,F)4] ; _database_code_amcsd 0018635 _chemical_compound_source 'Buranga pegmatite, Rwanda' _chemical_formula_sum 'Li3.72 Na.41 Ca.87 Al4 P4 O20 H4' _cell_length_a 11.476 _cell_length_b 15.744 _cell_length_c 7.228 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1305.942 _exptl_crystal_density_diffrn 3.184 _symmetry_space_group_name_H-M 'I m c b' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/2+x,y,-z' '+x,1/2+y,1/2-z' '1/2-x,-y,z' '-x,1/2-y,1/2+z' '1/2+x,-y,z' '+x,1/2-y,1/2+z' '1/2-x,y,-z' '-x,1/2+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-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 Li(1) 0.50000 0.28510 0.23340 0.93000 0.02000 Na(1) 0.50000 0.28510 0.23340 0.07000 0.02000 Li(2) 0.50000 0.28140 0.32000 0.93000 0.00800 Na(2) 0.50000 0.28140 0.32000 0.07000 0.00800 Ca 0.25000 0.50000 0.50000 0.87000 0.01060 Na 0.25000 0.50000 0.50000 0.13000 0.01060 Al 0.13082 0.37439 0.14050 1.00000 0.00520 P(1) 0.25000 0.29109 0.50000 1.00000 0.00540 P(2) 0.00000 0.45694 0.76810 1.00000 0.00560 O(1) 0.14270 0.26570 0.03310 1.00000 0.01010 O(2) 0.22940 0.35120 0.33640 1.00000 0.01060 O(3) 0.00000 0.39380 0.61230 1.00000 0.01170 O(4) 0.00000 0.40490 0.95580 1.00000 0.00780 O(5) 0.10960 0.48610 0.23990 1.00000 0.00820 O-h(1) 0.00000 0.33680 0.26480 1.00000 0.00760 O-h(2) 0.25000 0.41290 0.00000 1.00000 0.00520 H(1) 0.00000 0.35720 0.37890 1.00000 0.03000 H(2) 0.25000 0.44980 0.00000 1.00000 0.04000