data_global _chemical_name_mineral 'Cummingtonite' loop_ _publ_author_name 'Ghose S' 'Yang H' _journal_name_full 'American Mineralogist' _journal_volume 74 _journal_year 1989 _journal_page_first 1091 _journal_page_last 1096 _publ_section_title ; Mn-Mg distribution in a C2/m manganoan cummingtonite: Crystal-chemical considerations ; _database_code_amcsd 0001266 _chemical_formula_sum 'Mn2.246 Mg4.514 Ca.24 Si8 O24 H2' _cell_length_a 9.6045 _cell_length_b 18.1244 _cell_length_c 5.3251 _cell_angle_alpha 90 _cell_angle_beta 102.642 _cell_angle_gamma 90 _cell_volume 904.498 _exptl_crystal_density_diffrn 3.133 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-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 Mn1 0.00000 0.08680 0.50000 0.15000 ? Mg1 0.00000 0.08680 0.50000 0.85000 ? Mn2 0.00000 0.17690 0.00000 0.10600 ? Mg2 0.00000 0.17690 0.00000 0.89400 ? Mn3 0.00000 0.00000 0.00000 0.06200 ? Mg3 0.00000 0.00000 0.00000 0.93800 ? Ca4 0.00000 0.26350 0.50000 0.12000 ? Mn4 0.00000 0.26350 0.50000 0.83600 ? Mg4 0.00000 0.26350 0.50000 0.04400 ? Si1 0.29510 0.16990 0.78390 1.00000 ? Si2 0.28680 0.08420 0.27760 1.00000 ? O1 0.11430 0.08600 0.21220 1.00000 ? O2 0.12140 0.17210 0.71790 1.00000 ? O3 0.11350 0.00000 0.71220 1.00000 ? O4 0.37450 0.24700 0.77590 1.00000 ? O5 0.34920 0.12980 0.06550 1.00000 ? O6 0.34940 0.12150 0.55750 1.00000 ? O7 0.34440 0.00000 0.28030 1.00000 ? H 0.19500 0.00000 0.78700 1.00000 0.00190 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 Mn1 0.00329 0.01448 0.00130 0.00000 0.00086 0.00000 Mg1 0.00329 0.01448 0.00130 0.00000 0.00086 0.00000 Mn2 0.00298 0.00882 0.00103 0.00000 0.00059 0.00000 Mg2 0.00298 0.00882 0.00103 0.00000 0.00059 0.00000 Mn3 0.00236 0.01015 0.00057 0.00000 0.00054 0.00000 Mg3 0.00236 0.01015 0.00057 0.00000 0.00054 0.00000 Ca4 0.00596 0.02280 0.00204 0.00000 0.00175 0.00000 Mn4 0.00596 0.02280 0.00204 0.00000 0.00175 0.00000 Mg4 0.00596 0.02280 0.00204 0.00000 0.00175 0.00000 Si1 0.00329 0.01082 0.00124 -0.00060 0.00052 -0.00019 Si2 0.00360 0.01415 0.00122 -0.00069 0.00059 0.00019 O1 0.00227 0.01431 0.00171 -0.00017 0.00027 0.00000 O2 0.00383 0.01697 0.00165 -0.00034 0.00054 0.00086 O3 0.00374 0.01298 0.00155 0.00000 0.00064 0.00000 O4 0.00627 0.01997 0.00149 -0.00370 0.00064 0.00048 O5 0.00436 0.02663 0.00167 -0.00146 0.00079 0.00219 O6 0.00423 0.03212 0.00186 0.00181 0.00064 -0.00224 O7 0.00485 0.00999 0.00319 0.00000 0.00081 0.00000