data_global _chemical_name_mineral 'Montgomeryite' loop_ _publ_author_name 'Moore P B' 'Araki T' _journal_name_full 'American Mineralogist' _journal_volume 59 _journal_year 1974 _journal_page_first 843 _journal_page_last 850 _publ_section_title ; Montgomeryite, Ca4Mg(H2O)12[Al4(OH)4(PO4)6]:. Its crystal structure and relation to Vauxite, Fe2(H2O)4[Al4(OH)4(H2O)4(PO4)4].4H2O ; _database_code_amcsd 410 _chemical_formula_sum 'Ca2 Mg.5 Al2 P3 O20 H14' _cell_length_a 10.023 _cell_length_b 24.121 _cell_length_c 6.243 _cell_angle_alpha 90.0 _cell_angle_beta 91.55 _cell_angle_gamma 90.0 _cell_volume 1508.785 _exptl_crystal_density_diffrn 2.524 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-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 Ca1 0.0 0.06115 0.25 1.0 0.0171 Ca2 0.0 0.33098 0.25 1.0 0.01305 Mg 0.0 0.4708 0.25 0.5 0.0095 Al1 0.25 0.25 0.0 1.0 0.01001 Al2 0.0 0.17151 -0.25 1.0 0.01064 P1 0.5 0.29944 -0.25 1.0 0.00937 P2 0.2582 0.11548 -0.0405 1.0 0.01102 O1 0.6172 0.2604 0.7072 1.0 0.01431 O2 0.4693 0.3366 0.5548 1.0 0.01418 O3 0.3096 0.1749 0.012 1.0 0.01343 O4 0.3754 0.0872 -0.1497 1.0 0.0157 O5 0.1362 0.1178 -0.2009 1.0 0.0157 O6 0.2184 0.0856 0.162 1.0 0.0214 O-H 0.3712 0.2715 0.2189 1.0 0.01115 Wat1 0.1614 0.3301 0.5292 1.0 0.02672 Wat2 0.1122 0.0261 0.5826 1.0 0.02014 Wat3 0.1188 0.4731 0.5723 1.0 0.04673