data_global _chemical_name_mineral 'Niahite' loop_ _publ_author_name 'Carling S G' 'Day P' 'Visser D' _journal_name_full 'Inorganic Chemistry' _journal_volume 34 _journal_year 1995 _journal_page_first 3917 _journal_page_last 3927 _publ_section_title ; Crystal and magnetic structures of layer transition metal phosphate hydrates Sample: T = 295 K Note: atomic positions from ICSD ; _database_code_amcsd 0012716 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'N D6 Mn P O5' _cell_length_a 5.7302 _cell_length_b 8.8191 _cell_length_c 4.9087 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 248.062 _exptl_crystal_density_diffrn 2.570 _symmetry_space_group_name_H-M 'P m n 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,-y,1/2+z' '-x,y,z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv N 0.00000 0.52740 0.11570 0.02723 D1 0.00000 0.46540 0.29750 0.03280 D2 0.00000 0.45390 -0.05480 0.03521 D3 0.14740 0.58730 0.11900 0.05129 Mn 0.00000 -0.02340 0.00000 0.02356 P 0.00000 0.19830 0.57090 0.01444 O1 0.00000 0.16630 0.26380 0.02710 O2 0.00000 0.37290 0.62060 0.02470 O3 0.21700 0.12600 0.70660 0.01748 O4 0.00000 0.78640 0.68590 0.02989 D4 0.13260 0.79910 0.57350 0.04521