data_global _chemical_name_mineral 'Averievite' loop_ _publ_author_name 'Starova G L' 'Krivovichev S V' 'Fundamensky V S' 'Filatov S K' _journal_name_full 'Mineralogical Magazine' _journal_volume 61 _journal_year 1997 _journal_page_first 441 _journal_page_last 446 _publ_section_title ; The crystal structure of averievite, Cu5O2(VO4)2*nMX: comparison with related compounds Note: Coordinates for O6 added to the dataset by Krivovichev Aug 2005 ; _database_code_amcsd 0014526 _chemical_compound_source 'Main Tolbachik Fracture Eruption of Kamchatka' _chemical_formula_sum 'Cu6.01 V2 O10 Cl2' _cell_length_a 6.375 _cell_length_b 6.375 _cell_length_c 8.399 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 295.610 _exptl_crystal_density_diffrn 4.015 _symmetry_space_group_name_H-M 'P 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,x-y,z' '-x+y,-x,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 Cu1 0.00000 0.00000 0.00000 1.00000 0.01800 Cu2 0.33800 0.16100 0.28000 1.00000 0.00960 Cu3 0.66667 0.33333 0.54920 1.00000 0.02300 Cu4 0.33333 0.66667 0.01774 0.69000 0.06333 Cu5 0.33333 0.66667 0.53143 0.32000 0.06333 V1 0.66667 0.33333 -0.03200 1.00000 0.00800 V2 0.00000 0.00000 0.58400 1.00000 0.00400 O1 0.00000 0.00000 0.78500 1.00000 0.03200 O2 0.66667 0.33333 0.33900 1.00000 0.00887 O3 0.00000 0.00000 0.24400 1.00000 0.01013 O4 0.66667 0.33333 -0.22500 1.00000 0.00900 O5 0.37900 0.18600 0.03100 1.00000 0.02900 O6 0.30400 0.14300 0.50900 1.00000 0.01700 Cl1 0.33333 0.66667 0.27140 1.00000 0.06333 Cl2 0.33333 0.66667 0.76793 1.00000 0.06333