data_global _amcsd_formula_title 'CoZn2(PO4)2*4H2O' loop_ _publ_author_name 'Wu W Y' 'Liang X Q' 'Li Y Z' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 61 _journal_year 2005 _journal_page_first i105 _journal_page_last i107 _publ_section_title ; CoZn2(PO4)2*4H2O, a cobalt-doped modification of hopeite ; _database_code_amcsd 0010447 _chemical_formula_sum 'Co Zn2 P2 O12 H8' _cell_length_a 10.568 _cell_length_b 18.258 _cell_length_c 5.025 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 969.576 _exptl_crystal_density_diffrn 3.095 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-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 Co 0.76209 0.75000 0.43110 0.01130 Zn 0.14254 0.50072 0.20712 0.01369 P 0.89706 0.59435 0.27490 0.01170 O1 0.86020 0.67265 0.21540 0.02080 O2 0.02440 0.57866 0.14280 0.01910 O3 0.09980 0.42052 0.42980 0.02720 O4 0.19880 0.45965 -0.14080 0.01520 O1W 0.89360 0.75000 0.74130 0.01840 H1W 0.87240 0.78010 0.85380 0.02800 O2W 0.61590 0.75000 0.15160 0.02770 H2W 0.57140 0.78710 0.10970 0.04200 O3W 0.66430 0.66989 0.66450 0.02640 H3W1 0.65200 0.62630 0.56040 0.04000 H3W2 0.71350 0.65830 0.81990 0.04000 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 Co 0.01520 0.00740 0.01130 0.00000 0.00120 0.00000 Zn 0.01810 0.00960 0.01340 0.00020 0.00023 0.00090 P 0.01890 0.00370 0.01240 -0.00130 -0.00050 0.00060 O1 0.03800 0.00690 0.01730 0.00690 0.00610 0.00300 O2 0.01620 0.00790 0.03300 0.00020 0.00290 0.00660 O3 0.03160 0.01710 0.03300 0.00510 -0.01180 0.00900 O4 0.01670 0.01580 0.01300 -0.00390 0.00370 -0.00320 O1W 0.02100 0.01800 0.01600 0.00000 0.00060 0.00000 O2W 0.02000 0.03500 0.02800 0.00000 -0.00500 0.00000 O3W 0.03000 0.02670 0.02290 -0.00480 -0.00030 -0.00090