data_global _chemical_name_mineral 'Lindgrenite' loop_ _publ_author_name 'Hawthorne F C' 'Eby R K' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1985 _journal_year 1985 _journal_page_first 234 _journal_page_last 240 _publ_section_title ; Refinement of the crystal structure of lindgrenite ; _database_code_amcsd 0014795 _chemical_compound_source 'Chuquicamata, Chile' _chemical_formula_sum 'Cu3 Mo2 O10 H2' _cell_length_a 5.394 _cell_length_b 14.023 _cell_length_c 5.608 _cell_angle_alpha 90 _cell_angle_beta 98.50 _cell_angle_gamma 90 _cell_volume 419.530 _exptl_crystal_density_diffrn 4.311 _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 Cu1 0.00000 0.00000 0.00000 0.01254 Cu2 0.86380 0.09393 0.48700 0.01330 Mo 0.45592 0.15456 0.87716 0.01089 O1 0.98010 0.22340 0.43580 0.02406 O2 0.65050 0.09180 0.10090 0.02280 O3 0.55320 0.12990 0.59380 0.01900 O4 0.14480 0.11300 0.87300 0.01773 O5 0.13210 0.03060 0.34050 0.01267 H5 0.27000 0.04800 0.35000 0.01267 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 Cu1 0.01180 0.00890 0.00900 -0.00200 0.00180 0.00140 Cu2 0.01170 0.00750 0.01320 0.00160 0.00480 0.00120 Mo 0.00920 0.00650 0.01030 0.00000 0.00200 -0.00080 O1 0.02210 0.00740 0.02800 0.00090 0.00550 0.00370 O2 0.02000 0.01780 0.01570 0.00530 -0.00170 -0.00140 O3 0.01280 0.01800 0.01450 0.00120 0.00650 -0.00020 O4 0.01280 0.01410 0.01500 -0.00370 0.00300 0.00140 O5 0.01310 0.00710 0.01130 -0.00040 0.00300 0.00010