data_global _amcsd_formula_title '(NH4)(Zn,Ga)2(PO4)2' loop_ _publ_author_name 'Mrak M' 'Kolitsch U' 'Kaucic V' 'Tillmanns E' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 58 _journal_year 2002 _journal_page_first i44 _journal_page_last i48 _publ_section_title ; (NH4)(Zn,Ga)2(PO4)2, an open-framework structure ; _database_code_amcsd 0010377 _chemical_formula_sum '(Zn Ga) P2 O8 N H4' _cell_length_a 13.370 _cell_length_b 13.190 _cell_length_c 8.998 _cell_angle_alpha 90 _cell_angle_beta 100.46 _cell_angle_gamma 90 _cell_volume 1560.430 _exptl_crystal_density_diffrn 2.921 _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 Zn1 0.37042 0.05625 0.11547 0.50000 0.01214 Ga1 0.37042 0.05625 0.11547 0.50000 0.01214 Zn2 0.58004 0.37567 0.06484 0.50000 0.01230 Ga2 0.58004 0.37567 0.06484 0.50000 0.01230 P1 0.35211 0.43822 0.08472 1.00000 0.01297 P2 0.57660 0.13577 0.04242 1.00000 0.01139 O1 0.65260 0.40510 0.25520 1.00000 0.04910 O2 0.63921 0.44698 -0.07950 1.00000 0.02570 O3 0.24507 0.10156 0.01410 1.00000 0.02510 O4 0.43892 0.38788 0.02190 1.00000 0.02930 O5 0.36881 0.08030 0.31890 1.00000 0.03580 O6 0.61803 0.24192 0.02970 1.00000 0.03700 O7 0.46198 0.14235 0.04140 1.00000 0.02030 O8 0.40204 -0.07976 0.09770 1.00000 0.02280 N 0.32440 0.24900 -0.22220 1.00000 0.02940 H1 0.29400 0.30200 -0.25000 1.00000 0.05000 H2 0.26500 0.21700 -0.22100 1.00000 0.05000 H3 0.35700 0.22200 -0.28700 1.00000 0.05000 H4 0.37100 0.27000 -0.15700 1.00000 0.05000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Zn1 0.00842 0.01667 0.01109 0.00092 0.00113 -0.00309 Ga1 0.00842 0.01667 0.01109 0.00092 0.00113 -0.00309 Zn2 0.00988 0.01168 0.01535 -0.00052 0.00234 -0.00154 Ga2 0.00988 0.01168 0.01535 -0.00052 0.00234 -0.00154 P1 0.00910 0.01630 0.01290 -0.00220 0.00020 0.00460 P2 0.01030 0.01060 0.01350 -0.00020 0.00290 0.00100 O1 0.05230 0.07300 0.01900 0.00850 -0.00030 -0.02020 O2 0.02870 0.01880 0.03320 -0.00430 0.01550 -0.00280 O3 0.01320 0.02090 0.03740 0.00200 -0.00590 -0.00650 O4 0.01110 0.02260 0.05490 0.00190 0.00830 -0.00480 O5 0.02720 0.06290 0.01870 -0.02080 0.00790 -0.01540 O6 0.02670 0.01480 0.07500 -0.00650 0.02460 -0.00680 O7 0.01340 0.01750 0.03110 -0.00030 0.00660 0.00270 O8 0.02740 0.02490 0.01760 0.00340 0.00830 -0.00050 N 0.02120 0.04180 0.02590 -0.00280 0.00590 -0.01080