data_global _chemical_name_mineral 'Loveringite' loop_ _publ_author_name 'Peterson R C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 36 _journal_year 1998 _journal_page_first 763 _journal_page_last 774 _publ_section_title ; The stability and crystal chemistry of synthetic loveringite in the system Ca-Mn-Ti-O under strongly reducing conditions Sample: 9b ; _database_code_amcsd 0005542 _chemical_formula_sum 'Ca1.6 Mn3 Ti17.4 O38' _cell_length_a 10.4200 _cell_length_b 10.4200 _cell_length_c 20.9413 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1969.109 _exptl_crystal_density_diffrn 4.225 _symmetry_space_group_name_H-M 'R -3' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-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 CaA 0.00000 0.00000 0.00000 1.00000 0.02913 MnT 0.00000 0.00000 0.30980 1.00000 0.00646 Ca1 0.00000 0.00000 0.50000 0.60000 0.00760 Mn1 0.00000 0.00000 0.50000 0.40000 0.00760 Mn2 0.18640 0.14630 0.16450 0.10000 0.00735 Ti2 0.18640 0.14630 0.16450 0.90000 0.00735 Ti3 0.91290 0.24280 0.39080 1.00000 0.00646 Ti4 0.07530 0.76040 0.39880 1.00000 0.00722 O1 0.86500 0.06200 0.43450 1.00000 0.01026 O2 0.70300 0.50000 0.44060 1.00000 0.01026 O3 0.36000 0.25900 0.55860 1.00000 0.01026 O4 0.59700 0.55800 0.54990 1.00000 0.01026 O5 0.05200 0.20500 0.33720 1.00000 0.01026 O6 0.37000 0.26700 0.33990 1.00000 0.01026 O7 0.00000 0.00000 0.21230 1.00000 0.01026