data_global _chemical_name_mineral 'Omsite' loop_ _publ_author_name 'Mills S J' 'Kampf A R' 'Housley R M' 'Favreau G' 'Pasero M' 'Biagioni C' 'Merlino S' 'Berbain C' 'Orlandi P' _journal_name_full 'Mineralogical Magazine' _journal_volume 76 _journal_year 2012 _journal_page_first 1347 _journal_page_last 1354 _publ_section_title ; Omsite, (Ni,Cu)2Fe3+(OH)6[Sb(OH)6], a new member of the cualstibite group from Oms, France ; _database_code_amcsd 0019587 _chemical_compound_source 'Oms, France' _chemical_formula_sum 'Sb1.846 As.154 (Ni2.262 Cu1.368 Fe2.148 Mg.222) O24 H24' _cell_length_a 5.3506 _cell_length_b 5.3506 _cell_length_c 19.5802 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 485.459 _exptl_crystal_density_diffrn 3.385 _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' '-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 Sb1 0.00000 0.00000 0.00000 1.00000 0.04000 Sb2 0.66667 0.33333 0.49990 0.42300 0.03600 As2 0.66667 0.33333 0.49990 0.07700 0.03600 NiM1 0.00000 0.00000 0.25190 0.37700 0.02300 CuM1 0.00000 0.00000 0.25190 0.22800 0.02300 FeM1 0.00000 0.00000 0.25190 0.35800 0.02300 MgM1 0.00000 0.00000 0.25190 0.03700 0.02300 NiM2 0.66667 0.33333 0.24880 0.37700 0.02100 CuM2 0.66667 0.33333 0.24880 0.22800 0.02100 FeM2 0.66667 0.33333 0.24880 0.35800 0.02100 MgM2 0.66667 0.33333 0.24880 0.03700 0.02100 NiM3 0.33333 0.66667 0.24880 0.37700 0.02300 CuM3 0.33333 0.66667 0.24880 0.22800 0.02300 FeM3 0.33333 0.66667 0.24880 0.35800 0.02300 MgM3 0.33333 0.66667 0.24880 0.03700 0.02300 O-H1 -0.33100 0.00000 0.19600 1.00000 0.02000 O-H2 0.34000 0.00200 0.30110 1.00000 0.03800 O-H3a 0.47500 0.00200 0.44300 0.52000 0.04000 O-H3b 0.19300 -0.13600 0.44300 0.25000 0.04000 O-H3b' 0.32500 0.13800 0.44300 0.23000 0.04000 O-H4a 0.14100 -0.19900 0.06000 0.52000 0.03800 O-H4b -0.14000 -0.34000 0.06000 0.48000 0.03800 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 Sb1 0.04100 0.04100 0.03800 0.02100 0.00000 0.00000 Sb2 0.04000 0.04000 0.02700 0.02000 0.00000 0.00000 As2 0.04000 0.04000 0.02700 0.02000 0.00000 0.00000 NiM1 0.02200 0.02200 0.02500 0.01100 0.00000 0.00000 CuM1 0.02200 0.02200 0.02500 0.01100 0.00000 0.00000 FeM1 0.02200 0.02200 0.02500 0.01100 0.00000 0.00000 MgM1 0.02200 0.02200 0.02500 0.01100 0.00000 0.00000 NiM2 0.02000 0.02400 0.02400 0.01000 0.00000 0.00000 CuM2 0.02000 0.02400 0.02400 0.01000 0.00000 0.00000 FeM2 0.02000 0.02400 0.02400 0.01000 0.00000 0.00000 MgM2 0.02000 0.02400 0.02400 0.01000 0.00000 0.00000 NiM3 0.02100 0.02100 0.02500 0.01100 0.00000 0.00000 CuM3 0.02100 0.02100 0.02500 0.01100 0.00000 0.00000 FeM3 0.02100 0.02100 0.02500 0.01100 0.00000 0.00000 MgM3 0.02100 0.02100 0.02500 0.01100 0.00000 0.00000 O-H1 0.00500 0.00800 0.04800 0.00400 0.00100 0.00100 O-H2 0.04900 0.04900 0.01500 0.02400 -0.00100 0.00100 O-H3a 0.04000 0.05000 0.03500 0.02600 0.00100 -0.00600 O-H3b 0.04000 0.05000 0.03500 0.02600 0.00100 -0.00600 O-H3b' 0.04000 0.05000 0.03500 0.02600 0.00100 -0.00600 O-H4a 0.04400 0.04400 0.02700 0.02300 -0.00400 -0.00300 O-H4b 0.04400 0.04400 0.02700 0.02300 -0.00400 -0.00300