data_global _chemical_name_mineral 'Clinochalcomenite' loop_ _publ_author_name 'Lo K' 'Chen Z' 'Ma Z' _journal_name_full 'Kexue Tongbao' _journal_volume 29 _journal_year 1984 _journal_page_first 352 _journal_page_last 355 _publ_section_title ; The crystal structure of clinochalcomenite Note: reported coordinates do not produce the reported bond lengths ; _database_code_amcsd 0018480 _chemical_compound_source 'Gansu Province, China' _chemical_formula_sum 'Cu Se O5 H4' _cell_length_a 8.177 _cell_length_b 8.611 _cell_length_c 6.290 _cell_angle_alpha 90 _cell_angle_beta 97.27 _cell_angle_gamma 90 _cell_volume 439.332 _exptl_crystal_density_diffrn 3.425 _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 Cu 0.47750 0.36210 0.35650 Se 0.15180 0.85420 0.60120 O1 0.21450 0.68150 0.67400 O2 0.46820 0.41530 0.66950 O3 0.00240 0.81540 0.45330 Wat4 0.18970 0.44150 0.37490 Wat5 0.43040 0.14030 0.42170 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 Cu 0.02633 0.00526 0.01420 -0.00460 0.00103 -0.03702 Se 0.01600 0.01127 0.01854 0.00389 -0.01051 -0.02504 O1 0.03533 0.05560 0.01814 0.02866 -0.03846 -0.02314 O2 0.03333 0.01352 0.01065 0.02158 -0.03384 -0.08628 O3 0.04300 0.01240 0.04595 0.04034 -0.01179 -0.10724 Wat4 0.01733 0.04170 -0.00848 -0.03998 -0.04564 0.04981 Wat5 0.04133 0.02216 0.05680 0.02265 0.06153 0.08002