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 Dunton Gem Min, Oxford County, Maine at T = 295 K ; _database_code_amcsd 0002960 _chemical_formula_sum 'P Al O4.96 F.04 H.96 Li' _cell_length_a 6.7234 _cell_length_b 7.7181 _cell_length_c 7.0258 _cell_angle_alpha 91.302 _cell_angle_beta 117.953 _cell_angle_gamma 91.773 _cell_volume 321.607 _exptl_crystal_density_diffrn 3.015 _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 0.98420 0.34220 0.26670 1.00000 0.00500 Al1 0.00000 0.00000 0.00000 1.00000 0.00530 Al2 0.00000 0.00000 0.50000 1.00000 0.00520 O1 -0.31750 0.01530 -0.15950 1.00000 0.00770 O2 0.29800 0.05830 0.57420 1.00000 0.00760 O3 0.10130 -0.22370 -0.38950 1.00000 0.00700 O4 0.02630 0.23600 0.10360 1.00000 0.00810 O 0.04800 0.08930 -0.22580 0.96000 0.00660 F 0.04800 0.08930 -0.22580 0.04000 0.00660 H 0.20440 0.13350 0.84700 0.96000 0.02070 Li1 0.06600 -0.31700 0.27400 0.23000 0.01300 Li2 0.07090 -0.32130 0.31800 0.77000 0.01100