data_global _amcsd_formula_title 'Ba(NpO2)(PO4)(H2O)' loop_ _publ_author_name 'Forbes T Z' 'Burns P C' _journal_name_full 'American Mineralogist' _journal_volume 91 _journal_year 2006 _journal_page_first 1089 _journal_page_last 1093 _publ_section_title ; Ba(NpO2)(PO4)(H2O), its relationship to the uranophane group, and implications for Np incorporation in uranyl minerals ; _database_code_amcsd 0004163 _chemical_formula_sum 'Ba Np P O7 H2' _cell_length_a 6.905 _cell_length_b 7.108 _cell_length_c 13.321 _cell_angle_alpha 90 _cell_angle_beta 105.02 _cell_angle_gamma 90 _cell_volume 631.468 _exptl_crystal_density_diffrn 5.462 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ba 0.21540 0.44010 0.14330 0.01600 Np 0.70310 0.76430 0.17660 0.01000 P 0.84300 0.77920 0.42260 0.01100 O1 0.71880 0.09990 0.14510 0.01400 O2 0.63830 0.43210 0.16080 0.01300 O3 0.81810 0.33730 0.02640 0.01600 O4 0.94870 0.71230 0.69730 0.01600 O5 0.55400 0.74340 0.99610 0.01600 O6 0.96200 0.72960 0.16520 0.01900 O7 0.15970 0.06140 0.12510 0.03800 H7A 0.23200 0.95700 0.10100 0.05000 H7B 0.18400 0.07900 0.07000 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 Ba 0.01700 0.01300 0.01800 0.00000 0.00500 0.00200 Np 0.01200 0.00800 0.00800 0.00000 0.00100 -0.00100 P 0.01500 0.00800 0.00800 0.00100 0.00100 0.00000 O1 0.02300 0.00800 0.01000 0.00200 0.00000 0.00500 O2 0.02500 0.00600 0.00600 0.00000 -0.00100 -0.00200 O3 0.01500 0.02000 0.01400 0.00100 0.00700 0.00200 O4 0.01600 0.01400 0.00600 -0.00100 0.00300 0.00300 O5 0.01700 0.02000 0.00800 -0.00200 0.00100 0.00100 O6 0.01700 0.01900 0.02500 0.00000 0.01300 0.00100 O7 0.03800 0.02100 0.05800 0.00400 0.01600 0.00300