data_global _chemical_name_mineral 'Carpholite' loop_ _publ_author_name 'Lindemann W' 'Wogerbauer R' 'Berger P' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1979 _journal_year 1979 _journal_page_first 282 _journal_page_last 287 _publ_section_title ; Die kristallstruktur von karpholith (Mn0.97Mg0.08FeII0.07)(Al1.90FeIII0.01)Si2O6(OH)4 ; _database_code_amcsd 0014762 _chemical_compound_source 'Schlaggenwald, Bohemia' _chemical_formula_sum 'Mn Al2 Si2 O10 H4' _cell_length_a 13.718 _cell_length_b 20.216 _cell_length_c 5.132 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1423.222 _exptl_crystal_density_diffrn 3.072 _symmetry_space_group_name_H-M 'C c c a' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,1/2+y,1/2+z' '1/2-x,+y,1/2+z' 'x,1/2-y,1/2-z' '1/2+x,-y,1/2-z' 'x,1/2+y,-z' '1/2+x,+y,-z' '-x,1/2-y,z' '1/2-x,-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 Mn 0.00000 0.37300 0.25000 All 0.19340 0.25000 0.25000 Al2 0.00000 0.46160 0.75000 Si 0.19390 0.37950 0.91320 O1 0.20630 0.30030 0.93180 O2 0.24620 0.41120 0.17090 O3 0.08210 0.39960 0.90100 O-Hl 0.10330 0.30710 0.38630 O-H2 0.06800 0.46710 0.43040 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 Mn 0.02510 0.02840 0.01660 0.00000 0.00120 0.00000 All 0.03700 0.04480 0.01880 0.00000 0.00000 0.01320 Al2 0.03180 0.04060 0.02260 0.00000 0.00160 0.00000 Si 0.01270 0.01350 0.00780 0.00040 0.00060 0.00060 O1 0.00020 0.00840 0.00340 0.00240 0.00150 0.00000 O2 0.00250 0.01520 0.00490 0.00030 -0.00090 0.00040 O3 0.00190 0.00710 0.00870 0.00190 -0.00020 0.00140 O-Hl 0.00360 0.01050 0.00140 0.00560 0.00060 0.00010 O-H2 0.00340 0.01020 0.00320 -0.00060 0.00180 0.00110