data_global _chemical_name_mineral 'Howieite' loop_ _publ_author_name 'Wenk H R' _journal_name_full 'American Mineralogist' _journal_volume 59 _journal_year 1974 _journal_page_first 86 _journal_page_last 97 _publ_section_title ; Howieite, a new type of chain silicate ; _database_code_amcsd 396 _chemical_formula_sum 'Si11.92 Ti.08 Fe8 Mn2.98 Mg.45 Al.62 Na O44' _cell_length_a 10.17 _cell_length_b 9.774 _cell_length_c 9.589 _cell_angle_alpha 91.22 _cell_angle_beta 70.76 _cell_angle_gamma 108.09 _cell_volume 851.947 _exptl_crystal_density_diffrn 3.321 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si11 -0.27392 0.08663 0.01664 0.96 Ti11 -0.27392 0.08663 0.01664 0.04 Si12 -0.27312 0.0769 0.32831 1.0 Si21 0.00065 0.22071 0.41972 1.0 Si22 -0.00205 0.21802 -0.26243 1.0 Si31 0.27037 0.33955 -0.1666 1.0 Si32 0.27346 0.34722 0.14394 1.0 Fe11 -0.45599 0.29345 0.23699 1.0 Fe12 -0.46434 0.26095 -0.42833 1.0 Fe13 -0.46138 0.27582 -0.09654 1.0 Fe21 -0.15485 0.42838 0.30607 1.0 Mn22 -0.15716 0.42405 -0.36488 0.695 Mg22 -0.15716 0.42405 -0.36488 0.225 Al22 -0.15716 0.42405 -0.36488 0.08 Mn23 -0.14897 0.43047 -0.03362 0.795 Al23 -0.14897 0.43047 -0.03362 0.23 Na 0.0 0.0 0.0 1.0 O11 0.414 0.0524 -0.0256 1.0 O12 0.3627 0.0755 0.3153 1.0 O13 0.396 0.0723 -0.41 1.0 O21 -0.3179 0.2321 0.0248 1.0 O22 -0.3285 0.2176 0.3597 1.0 O23 -0.3408 0.2244 -0.3133 1.0 O31 -0.0361 0.3832 0.0989 1.0 O32 -0.0277 0.3742 0.4293 1.0 O33 -0.03 0.3714 -0.2481 1.0 O41 0.2651 -0.4892 0.1604 1.0 O42 0.2857 -0.4587 0.4857 1.0 O43 0.2676 -0.496 -0.179 1.0 O51 -0.4313 -0.3249 0.2404 1.0 O52 -0.4484 -0.3462 -0.453 1.0 O53 -0.4364 -0.3414 -0.1071 1.0 O61 -0.1288 0.0996 0.3781 1.0 O62 -0.1342 0.0952 -0.1351 1.0 O71 0.1601 0.2391 0.2938 1.0 O72 0.1506 0.23 -0.2338 1.0 O8 -0.2084 0.0703 0.1478 1.0 O9 0.0047 0.1631 -0.4239 1.0 O10 0.2094 0.2782 0.0107 1.0 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 Si11 0.0049 0.00794 0.00527 0.00234 -0.00096 0.00038 Ti11 0.0049 0.00794 0.00527 0.00234 -0.00096 0.00038 Si12 0.00549 0.0095 0.00519 0.00192 -0.00183 -0.00169 Si21 0.00561 0.00802 0.00523 0.00354 -0.0015 -0.00063 Si22 0.0057 0.00833 0.00453 0.00307 -0.00191 -0.0008 Si31 0.00398 0.00963 0.00581 0.0032 -0.00162 -0.00106 Si32 0.0057 0.01089 0.00502 0.0052 -0.00091 -0.0008 Fe11 0.00649 0.0131 0.00787 0.00371 -0.00299 -0.00021 Fe12 0.00423 0.00759 0.00531 0.00205 -0.00108 -0.00046 Fe13 0.0067 0.01332 0.00638 0.00452 -0.00158 -0.00076 Fe21 0.00507 0.01011 0.00568 0.00213 -0.00091 0.00013 Mn22 0.00532 0.01093 0.00634 0.0029 -0.00133 -0.0011 Mg22 0.00532 0.01093 0.00634 0.0029 -0.00133 -0.0011 Al22 0.00532 0.01093 0.00634 0.0029 -0.00133 -0.0011 Mn23 0.00364 0.00837 0.00544 0.00162 -0.00145 -0.00025 Al23 0.00364 0.00837 0.00544 0.00162 -0.00145 -0.00025 Na 0.03137 0.06198 0.03114 0.03661 0.00162 0.01293 O11 0.00754 0.01475 0.02059 0.0017 -0.0054 -0.00042 O12 0.02722 0.01778 0.02759 0.00511 -0.00914 0.00211 O13 0.00921 0.00737 0.01194 0.0 0.00083 0.0 O21 0.00963 0.00781 0.01071 0.00298 -0.00291 0.00296 O22 0.00796 0.00781 0.01071 0.00341 -0.00083 0.00127 O23 0.00754 0.01301 0.01112 0.00426 -0.00249 -0.00042 O31 0.00544 0.01171 0.01071 0.00298 -0.00208 0.00085 O32 0.00796 0.01084 0.0103 0.00469 -0.00374 -0.00169 O33 0.00796 0.00911 0.00741 0.00426 -0.00166 0.0 O41 0.00963 0.01258 0.00741 0.00725 -0.00291 -0.00042 O42 0.00921 0.01648 0.01071 0.00597 -0.00374 -0.00085 O43 0.01005 0.01214 0.01071 0.00597 -0.00125 -0.00211 O51 0.00544 0.01518 0.01153 0.00426 -0.00249 -0.00211 O52 0.02429 0.02472 0.01277 0.01534 -0.01038 -0.00423 O53 0.00586 0.01475 0.01071 0.00469 -0.00042 0.00169 O61 0.01047 0.01301 0.01647 0.00426 -0.00997 -0.00211 O62 0.00796 0.01388 0.00865 0.00341 0.0 0.00085 O71 0.01047 0.01518 0.00824 0.00639 -0.00208 -0.00042 O72 0.01005 0.01431 0.01359 0.00554 -0.00664 -0.00592 O8 0.00754 0.01648 0.00824 0.00597 -0.00374 -0.00254 O9 0.01215 0.01345 0.00412 0.00682 -0.00208 -0.00085 O10 0.01005 0.01605 0.00618 0.00639 -0.00125 -0.00085