data_global _chemical_name_mineral 'Beta-roselite' loop_ _publ_author_name 'Joswig W' 'Paulus E F' 'Liebscher B' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 219 _journal_year 2004 _journal_page_first 341 _journal_page_last 342 _publ_section_title ; Crystal structure of dicalcium (cobalt,magnesium) diarsenate dihydrate, Ca2(Co0.532Mg0.468)[AsO4]2*2H2O, hydrogen bonding in talmessite ; _database_code_amcsd 0011127 _chemical_compound_source 'Bou-Azzer, Morocco' _chemical_formula_sum 'Ca2 (Co.532 Mg.468) As2 O10 H4' _cell_length_a 5.884 _cell_length_b 6.981 _cell_length_c 5.564 _cell_angle_alpha 97.33 _cell_angle_beta 108.93 _cell_angle_gamma 108.18 _cell_volume 198.627 _exptl_crystal_density_diffrn 3.651 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,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 Ca -0.29524 0.23736 0.34744 1.00000 ? Co 0.00000 0.00000 0.00000 0.53200 ? Mg 0.00000 0.00000 0.00000 0.46800 ? As 0.33318 0.24575 0.67079 1.00000 ? O1 0.34050 0.12880 0.92130 1.00000 ? O2 0.23990 0.05050 0.40020 1.00000 ? O3 0.15370 0.39070 0.64120 1.00000 ? O4 0.64110 0.38490 0.71580 1.00000 ? Ow -0.04630 0.27440 0.07370 1.00000 ? H1 0.08100 0.35800 0.12600 1.00000 0.02300 H2 -0.12300 0.30200 -0.03100 1.00000 0.02600 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 Ca 0.00887 0.00931 0.00929 0.00308 0.00387 0.00215 Co 0.00720 0.00700 0.00860 0.00237 0.00363 0.00184 Mg 0.00720 0.00700 0.00860 0.00237 0.00363 0.00184 As 0.00586 0.00565 0.00682 0.00189 0.00270 0.00204 O1 0.00910 0.01210 0.01040 0.00370 0.00450 0.00660 O2 0.01380 0.00950 0.00870 0.00440 0.00190 -0.00090 O3 0.01070 0.00930 0.01320 0.00580 0.00500 0.00390 O4 0.00610 0.01030 0.01230 0.00010 0.00400 0.00230 Ow 0.00850 0.00730 0.00920 0.00130 0.00250 0.00170