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 = 295 K Note: O3-x coordinate modified ; _database_code_amcsd 0002965 _chemical_formula_sum 'P Al O4.55 F.45 H.55 Li' _cell_length_a 6.6941 _cell_length_b 7.7204 _cell_length_c 6.9728 _cell_angle_alpha 90.919 _cell_angle_beta 117.75 _cell_angle_gamma 91.369 _cell_volume 318.675 _exptl_crystal_density_diffrn 3.060 _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 0.98510 0.34100 0.26180 1.00000 0.00620 Al1 0.00000 0.00000 0.00000 1.00000 0.00630 Al2 0.00000 0.00000 0.50000 1.00000 0.00510 O1 -0.31670 0.01652 -0.15260 1.00000 0.00920 O2 0.29850 0.05971 0.58080 1.00000 0.00960 O3 0.09980 -0.22273 -0.38700 1.00000 0.00830 O4 0.02570 0.23365 0.09810 1.00000 0.00990 O 0.03580 0.08658 -0.23240 0.55000 0.00960 F 0.03580 0.08658 -0.23240 0.45000 0.00960 H 0.20110 0.13730 0.84400 0.55000 0.02200 Li1 0.05000 -0.32300 0.24900 0.37000 0.01700 Li2 0.06800 -0.32180 0.31600 0.63000 0.01400