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: powder X-ray + neutron analysis ; _database_code_amcsd 0006024 _chemical_formula_sum 'Ca.903 Mn.6 Fe2.497 Si2 O9 H' _cell_length_a 13.0250 _cell_length_b 8.8514 _cell_length_c 5.8486 _cell_angle_alpha 90 _cell_angle_beta 90.167 _cell_angle_gamma 90 _cell_volume 674.279 _exptl_crystal_density_diffrn 4.037 _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 0.81500 0.37290 0.76300 0.90300 0.00540 Mn 0.81500 0.37290 0.76300 0.09700 0.00540 Fe2+M11 0.89120 0.05040 0.00720 0.83000 0.00490 Fe3+M11 0.89120 0.05040 0.00720 0.17000 0.00490 Fe2+M12 0.88860 0.05010 0.49530 0.17000 0.00490 Fe3+M12 0.88860 0.05010 0.49530 0.83000 0.00490 MnM2 0.94210 0.73950 0.25610 0.50300 0.00490 Fe2+M2 0.94210 0.73950 0.25610 0.49700 0.00490 Si1 0.95870 0.36930 0.25990 1.00000 0.00370 Si2 0.68200 0.22620 0.24390 1.00000 0.00370 O1 0.01000 0.02700 0.73780 1.00000 0.00027 O21 0.93760 0.27310 0.01400 1.00000 0.00027 O22 0.93400 0.27220 0.47990 1.00000 0.00027 O3 0.77640 0.10710 0.25980 1.00000 0.00027 O41 0.67620 0.33300 0.02080 1.00000 0.00027 O42 0.66780 0.32580 0.48420 1.00000 0.00027 O5 0.58360 0.10180 0.26160 1.00000 0.00027 O6 0.60280 0.02150 0.76050 1.00000 0.00027 O7 0.79730 0.11200 0.74220 1.00000 0.00027 H 0.72850 0.06440 0.75490 1.00000 0.02050