data_global _chemical_name_mineral 'Montebrasite' loop_ _publ_author_name 'Groat L A' 'Chakoumakos B C' 'Brouwer D H' 'Hoffman C M' 'Fyfe C A' 'Morell H' 'Schultz A J' _journal_name_full 'American Mineralogist' _journal_volume 88 _journal_year 2003 _journal_page_first 195 _journal_page_last 210 _publ_section_title ; The amblygonite (LiAlPO4F) - montebrasite (LiAlPO4OH) solid solution: A combined powder and single-crystal neutron diffraction and solid-state Li MAS, CP MAS, and REDOR NMR study Sample: from Tanco Pegmatite, Bernic Lake, Manitoba at T = 150 K ; _database_code_amcsd 0002963 _chemical_formula_sum 'P Al O4.58 F.42 H.58 Li' _cell_length_a 6.6891 _cell_length_b 7.7111 _cell_length_c 6.9648 _cell_angle_alpha 90.958 _cell_angle_beta 117.76 _cell_angle_gamma 91.382 _cell_volume 317.648 _exptl_crystal_density_diffrn 3.068 _symmetry_space_group_name_H-M 'C -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' 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 P 0.98460 0.34110 0.26200 1.00000 0.00480 Al1 0.00000 0.00000 0.00000 1.00000 0.00490 Al2 0.00000 0.00000 0.50000 1.00000 0.00380 O1 -0.31700 0.01530 -0.15410 1.00000 0.00670 O2 0.29840 0.06000 0.57980 1.00000 0.00750 O3 0.10080 -0.22310 -0.38770 1.00000 0.00620 O4 0.02440 0.23390 0.09770 1.00000 0.00750 O 0.03660 0.08650 -0.23200 0.58000 0.00760 F 0.03660 0.08650 -0.23200 0.42000 0.00760 H 0.20250 0.13700 0.84420 0.58000 0.01900 Li1 0.05100 -0.32210 0.25600 0.36000 0.01400 Li2 0.06890 -0.32200 0.31600 0.64000 0.00900