data_global _chemical_name_mineral 'Manganilvaite' loop_ _publ_author_name 'Zotov N' 'Kockelmann W' 'Jacobsen S D' 'Mitov I' 'Paneva D' 'Vassileva R D' 'Bonev I K' _journal_name_full 'The Canadian Mineralogist' _journal_volume 43 _journal_year 2005 _journal_page_first 1043 _journal_page_last 1053 _publ_section_title ; Structure and cation order in manganilvaite: a combined X-ray-diffraction, neutron-diffraction and mossbauer study Sample: Ossikovo Pb-Zn skarn, Rhodope Mountains, Bulgaria Sample: single crystal X-ray analysis ; _database_code_amcsd 0006025 _chemical_formula_sum 'Ca Fe2.44 Mn.56 Si2 O9 H' _cell_length_a 13.015 _cell_length_b 8.8430 _cell_length_c 5.8396 _cell_angle_alpha 90 _cell_angle_beta 90.11 _cell_angle_gamma 90 _cell_volume 672.088 _exptl_crystal_density_diffrn 4.035 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-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 Ca 0.81298 0.36996 0.75154 1.00000 0.00750 Fe2+M11 0.89021 0.04995 0.00689 0.83000 0.00734 Fe3+M11 0.89021 0.04995 0.00689 0.17000 0.00734 Fe2+M12 0.89018 0.05095 0.49337 0.17000 0.00704 Fe3+M12 0.89018 0.05095 0.49337 0.83000 0.00704 MnM2 0.93987 0.73906 0.24925 0.56000 0.00738 Fe2+M2 0.93987 0.73906 0.24925 0.44000 0.00738 Si1 0.95890 0.36741 0.24950 1.00000 0.00500 Si2 0.67971 0.22663 0.25110 1.00000 0.00520 O1 0.00920 0.02640 0.74430 1.00000 0.01020 O21 0.93660 0.27170 0.01580 1.00000 0.00780 O22 0.93610 0.27160 0.48440 1.00000 0.00790 O3 0.77670 0.10810 0.25260 1.00000 0.00770 O41 0.67150 0.32820 0.01850 1.00000 0.00790 O42 0.67130 0.33030 0.48210 1.00000 0.00740 O5 0.58450 0.10180 0.25150 1.00000 0.00680 O6 0.60330 0.02240 0.75130 1.00000 0.01070 O7 0.79780 0.11030 0.74740 1.00000 0.00760 H 0.73300 0.09400 0.74300 1.00000 0.00600