data_global _chemical_name_mineral 'Kuzmenkoite-Mn' loop_ _publ_author_name 'Rastsvetaeva R K' 'Chukanov N V' 'Pekov I V' _journal_name_full 'Crystallography Reports' _journal_volume 45 _journal_year 2000 _journal_page_first 759 _journal_page_last 761 _publ_section_title ; Refined crystal structure of kuzmenkoite ; _database_code_amcsd 0012368 _chemical_compound_source 'Lovozero massif, Kola Peninsula, Russia' _chemical_formula_sum 'K1.63 Ba.03 Na.18 Ti3.4 Nb.34 Fe.4 Mn.56 Si8 O32.25 H11.85' _cell_length_a 14.369 _cell_length_b 13.906 _cell_length_c 7.812 _cell_angle_alpha 90 _cell_angle_beta 117.09 _cell_angle_gamma 90 _cell_volume 1389.708 _exptl_crystal_density_diffrn 2.562 _symmetry_space_group_name_H-M 'C 1 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' 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 K1 0.09450 0.00000 0.33600 0.27000 0.04433 Ba1 0.09450 0.00000 0.33600 0.03000 0.04433 K2 0.57250 0.03930 0.28650 0.41000 0.04559 K3 0.42750 0.05430 0.73100 0.21000 0.04179 Na3 0.42750 0.05430 0.73100 0.09000 0.04179 K4 0.51800 0.11200 0.02700 0.06000 0.06333 TiM1 0.00000 0.23010 0.50000 0.90000 0.01545 NbM1 0.00000 0.23010 0.50000 0.10000 0.01545 TiM2 0.25100 0.25110 0.50280 0.80000 0.01292 FeM2 0.25100 0.25110 0.50280 0.20000 0.01292 Mn -0.00240 0.00000 0.50170 0.56000 0.01583 Nb -0.00240 0.00000 0.50170 0.14000 0.01583 Si1 0.18300 0.38920 0.75380 1.00000 0.00545 Si2 0.81700 0.61090 0.24760 1.00000 0.01469 Si3 0.29320 0.39060 0.19630 1.00000 0.00798 Si4 0.70640 0.60990 0.80270 1.00000 0.01051 O 0.49700 0.34600 0.01100 0.32500 0.06459 H3O 0.49700 0.34600 0.01100 0.32500 0.06459 O1 0.08350 0.32210 0.69180 1.00000 0.01900 O2 0.23990 0.37170 0.62030 1.00000 0.01140 O3 0.76960 0.67900 0.73040 1.00000 0.01900 O4 0.41760 0.37910 0.32750 1.00000 0.00633 O5 0.35630 0.00000 0.27240 1.00000 0.00887 O6 0.26650 0.37230 0.97400 1.00000 0.01520 O7 0.24090 0.00000 0.78600 1.00000 0.01646 O8 0.91930 0.67940 0.31070 1.00000 0.01393 O9 0.76170 0.62880 0.38320 1.00000 0.01646 O10 0.22640 0.31920 0.26210 1.00000 0.01013 O11 0.58160 0.62040 0.67100 1.00000 0.02280 O12 0.14110 0.50000 0.73350 1.00000 0.02786 O13 0.73240 0.63030 0.02440 1.00000 0.01900 O14 0.25780 0.50000 0.21230 1.00000 0.01646 O-H1 0.09990 0.23060 0.60590 1.00000 0.01140 O-H2 0.09940 0.77220 0.39180 1.00000 0.01646 Wat1 0.89600 0.00000 0.65600 0.80000 0.03420 Wat2 0.49100 0.13900 -0.04800 0.50000 0.11779 Wat3 0.97700 0.16200 0.98000 0.35000 0.02153 Wat4 0.08500 0.00000 0.33300 0.70000 0.03926 Wat5 0.53100 0.11900 0.12900 0.20000 0.02026