data_global _chemical_name_mineral 'Kvanefjeldite' loop_ _publ_author_name 'Johnsen O' 'Leonardsen E S' 'Falth L' 'Annehed H' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1983 _journal_year 1983 _journal_page_first 505 _journal_page_last 512 _publ_section_title ; Crystal structure of kvanefjeldite: The introduction of [Si3O7OH] layers with eight-membered rings ; _database_code_amcsd 0014783 _chemical_compound_source 'Ilimaussaq alkaline intrusion, South Greenland' _chemical_formula_sum 'Na4 (Ca.5 Mn.5) Si6 O16 H2' _cell_length_a 10.213 _cell_length_b 15.878 _cell_length_c 9.058 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1468.864 _exptl_crystal_density_diffrn 2.559 _symmetry_space_group_name_H-M 'P c a b' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2-z' '-x,1/2-y,1/2+z' '1/2-x,y,1/2+z' '1/2+x,-y,1/2-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 Na1 0.68082 -0.04507 0.79810 1.00000 0.02178 Na2 0.84529 0.30661 0.49949 1.00000 0.02128 Ca 0.00000 0.00000 0.00000 0.50000 0.01102 Mn 0.00000 0.00000 0.00000 0.50000 0.01102 Si1 0.58291 0.18032 0.30192 1.00000 0.01127 Si2 0.54817 0.37446 0.32987 1.00000 0.01254 Si3 0.79795 0.11392 0.50797 1.00000 0.01153 O1 0.51802 0.27299 0.32541 1.00000 0.01710 O2 0.47871 0.11050 0.33835 1.00000 0.01646 O3 0.71924 0.03448 0.56521 1.00000 0.01583 O4 0.59159 0.41076 0.17584 1.00000 0.01836 O5 0.70948 0.18010 0.41214 1.00000 0.01646 O6 0.63873 0.17636 0.13244 1.00000 0.01646 O7 0.66459 0.38868 0.45356 1.00000 0.01900 O8 0.41495 0.41813 0.39743 1.00000 0.01545 H 0.69700 0.43300 0.44500 1.00000 0.06206 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 Na1 0.02050 0.02376 0.02103 0.00107 -0.00244 -0.00306 Na2 0.02235 0.01903 0.02245 -0.00025 0.00000 0.00175 Si1 0.01141 0.01213 0.01039 0.00033 0.00047 -0.00022 Si2 0.01173 0.01316 0.01280 0.00082 0.00080 0.00000 Si3 0.01104 0.01290 0.01081 -0.00033 -0.00056 0.00007 O1 0.01517 0.01584 0.02020 0.00189 0.00108 -0.00146 O2 0.01654 0.01673 0.01629 -0.00255 0.00009 0.00124 O3 0.01300 0.01520 0.01949 -0.00058 0.00075 0.00175 O4 0.01812 0.02082 0.01621 0.00025 0.00258 0.00146 O5 0.01575 0.01635 0.01725 0.00016 -0.00356 0.00131 O6 0.01871 0.01750 0.01318 0.00090 0.00253 0.00095 O7 0.01839 0.01877 0.01987 -0.00082 -0.00356 0.00102 O8 0.01527 0.01379 0.01762 0.00222 0.00319 0.00197