data_global _chemical_name_mineral 'Ahlfeldite' loop_ _publ_author_name 'Larranaga A' 'Mesa J L' 'Pizarro J L' 'Pena A' 'Chapman J P' 'Arriortua M I' 'Rojo T' _journal_name_full 'Materials Research Bulletin' _journal_volume 40 _journal_year 2005 _journal_page_first 781 _journal_page_last 793 _publ_section_title ; Thermal, spectroscopic and magnetic properties of the CoxNi1-x(SeO3)*2H2O (x = 0, 0.4, 1) phases crystal structure of Co0.4Ni0.6(SeO3)*2H2O ; _database_code_amcsd 0014382 _chemical_compound_source 'Synthetic' _chemical_formula_sum '(Ni.6 Co.4) Se O5 H4' _cell_length_a 6.4681 _cell_length_b 8.7816 _cell_length_c 7.5668 _cell_angle_alpha 90 _cell_angle_beta 98.927 _cell_angle_gamma 90 _cell_volume 424.590 _exptl_crystal_density_diffrn 3.469 _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_occupancy _atom_site_U_iso_or_equiv Ni -0.35030 0.13800 0.98200 0.60000 0.00800 Co -0.35030 0.13800 0.98200 0.40000 0.00800 Se 0.10250 0.15230 0.83710 1.00000 0.00800 O1 0.17390 0.32540 0.76520 1.00000 0.01200 O2 -0.04080 0.19940 0.99750 1.00000 0.01300 O3 0.32790 0.09240 0.96670 1.00000 0.01100 O4w 0.11580 0.43490 0.20670 1.00000 0.01400 O5w -0.41850 0.35920 0.92190 1.00000 0.01500 H1 0.07200 0.36500 0.13200 1.00000 0.02800 H2 0.00900 0.50100 0.19800 1.00000 0.02800 H3 -0.33900 0.42500 0.86900 1.00000 0.02800 H4 -0.55400 0.36800 0.87900 1.00000 0.02800