data_global _amcsd_formula_title 'Zn2GaP3O12*2NH4' loop_ _publ_author_name 'Logar N Z' 'Mrak M' 'Kaucic V' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 156 _journal_year 2001 _journal_page_first 480 _journal_page_last 486 _publ_section_title ; Syntheses and structures of two ammonium zinc gallophosphates: analcime and paracelsian analogs Sample: analcime analog Note: changed O1(x,y) and O3(x,y,z) to match reported bond distances ; _database_code_amcsd 0013994 _chemical_formula_sum '(Zn2 Ga) P3 O12 N2 H8' _cell_length_a 13.456 _cell_length_b 13.456 _cell_length_c 13.456 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2436.396 _exptl_crystal_density_diffrn 2.843 _symmetry_space_group_name_H-M 'I 21 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/2-z,-x,1/2+y' '-z,1/2-x,+y' '-z,1/2+x,1/2-y' '1/2-z,+x,-y' '1/2+z,1/2-x,-y' '+z,-x,1/2-y' 'z,x,y' '1/2+z,1/2+x,1/2+y' '1/2+y,1/2-z,-x' '+y,-z,1/2-x' '1/2-y,-z,1/2+x' '-y,1/2-z,+x' '-y,1/2+z,1/2-x' '1/2-y,+z,-x' 'y,z,x' '1/2+y,1/2+z,1/2+x' '-x,1/2+y,1/2-z' '1/2-x,+y,-z' '1/2+x,1/2-y,-z' '+x,-y,1/2-z' '1/2-x,-y,1/2+z' '-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 Zn 0.42149 0.62197 0.84935 0.66667 0.01400 Ga 0.42149 0.62197 0.84935 0.33333 0.01400 P 0.36800 0.83010 0.90550 1.00000 0.01400 O1 0.37820 0.72220 0.94190 1.00000 0.02000 O2 0.55750 0.64750 0.82150 1.00000 0.01900 O3 0.35230 0.74240 0.83610 1.00000 0.03100 O4 0.40260 0.48950 0.89050 1.00000 0.03100 N1 0.35760 0.35760 0.35760 1.00000 0.02500 N2 0.62340 0.62340 0.62340 1.00000 0.03200 H1 0.34100 0.44050 0.37070 1.00000 0.02900 H2 0.31670 0.31670 0.31670 1.00000 0.02900 H3 0.58860 0.64200 0.70080 1.00000 0.02900 H4 0.57790 0.57790 0.57790 1.00000 0.02900