data_global _chemical_name_mineral 'Correianevesite' loop_ _publ_author_name 'Chukanov N V' 'Scholz R' 'Zubkova N V' 'Pekov I V' 'Belakovskiy D I' 'Van K V' 'Lagoeiro L' 'Graca L M' 'Krambrock K' 'de Oliveire L C A' 'Menezes L A D' 'Chaves M L S C' 'Pushcharovsky D Y' _journal_name_full 'American Mineralogist' _journal_volume 99 _journal_year 2014 _journal_page_first 811 _journal_page_last 816 _publ_section_title ; Correianevesite, Fe2+Mn2+2(PO4)2*3H2O, a new reddingite-group mineral from the Cigana mine, Conselheiro Pena, Minas Gerais, Brazil ; _database_code_amcsd 0020021 _chemical_compound_source 'Cigana mine, Conselheiro Pena, Minas Gerais, Brazil' _chemical_formula_sum '(Fe1.32 Mn1.68) P2 O11 H6' _cell_length_a 9.48871 _cell_length_b 10.11494 _cell_length_c 8.70624 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 835.605 _exptl_crystal_density_diffrn 3.259 _symmetry_space_group_name_H-M 'P b n a' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,z' 'x,1/2-y,-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+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_occupancy _atom_site_U_iso_or_equiv Fe2+1 0.00000 0.00000 0.00000 0.80000 0.00978 Mn2+1 0.00000 0.00000 0.00000 0.20000 0.00978 Mn2+2 0.06533 0.09720 0.63633 0.74000 0.01010 Fe2+2 0.06533 0.09720 0.63633 0.26000 0.01010 P 0.20457 0.10607 0.29198 1.00000 0.00713 O1 0.21646 0.25363 0.33350 1.00000 0.01207 O2 0.10430 0.03779 0.40585 1.00000 0.01146 O3 0.35133 0.04233 0.30005 1.00000 0.01229 O4 0.14828 0.09733 0.12677 1.00000 0.01383 O5 -0.09290 0.25000 0.50000 1.00000 0.01980 O6 -0.02810 0.32654 0.14686 1.00000 0.01156 H61 0.01800 0.25200 0.13400 1.00000 0.05200 H62 -0.11300 0.28700 0.15900 1.00000 0.05400 H5 -0.13900 0.19100 0.45400 1.00000 0.05500 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 Fe2+1 0.01124 0.00880 0.00930 -0.00117 -0.00259 -0.00005 Mn2+1 0.01124 0.00880 0.00930 -0.00117 -0.00259 -0.00005 Mn2+2 0.01149 0.00988 0.00894 -0.00265 0.00013 -0.00086 Fe2+2 0.01149 0.00988 0.00894 -0.00265 0.00013 -0.00086 P 0.00643 0.00743 0.00752 -0.00037 0.00035 -0.00028 O1 0.01160 0.00770 0.01690 0.00000 0.00000 -0.00140 O2 0.01090 0.01330 0.01030 -0.00360 0.00240 0.00030 O3 0.00880 0.01250 0.01550 0.00270 0.00040 -0.00150 O4 0.01500 0.01830 0.00820 -0.00400 -0.00190 -0.00020 O5 0.02080 0.01710 0.02160 0.00000 0.00000 -0.00450 O6 0.01140 0.00930 0.01400 -0.00120 -0.00010 -0.00030