data_global _chemical_name_mineral 'Gutkovaite-Mn' loop_ _publ_author_name 'Rastsvetaeva R K' 'Pekov I V' 'Nekrasov Y V' _journal_name_full 'Crystallography Reports' _journal_volume 46 _journal_year 2001 _journal_page_first 365 _journal_page_last 367 _publ_section_title ; Crystal structure and microtwinning of a calcium-rich analogue of labuntsovite ; _database_code_amcsd 0020185 _chemical_compound_source 'Khibiny alkaline massif, Kola peninsula, Russia' _chemical_formula_sum 'K1.55 Ca.6 Mn.89 Ti3.9 Nb.1 Si8 O32.9 Ba.1 H9.8' _cell_length_a 14.365 _cell_length_b 13.887 _cell_length_c 7.814 _cell_angle_alpha 90 _cell_angle_beta 117.36 _cell_angle_gamma 90 _cell_volume 1384.418 _exptl_crystal_density_diffrn 2.649 _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 0.42500 0.00000 0.70900 0.26000 0.05826 K2 0.58440 0.00000 0.29400 0.53000 0.04686 K3 0.57440 0.05470 0.27500 0.33000 0.02913 Ca 0.91900 0.23250 0.01700 0.30000 0.04939 Mn 0.00310 0.00000 0.49600 0.89000 0.02520 Ti1 -0.00020 0.23160 0.50020 1.00000 0.02140 Ti2 0.25220 0.25100 0.49680 0.95000 0.02267 Nb2 0.25220 0.25100 0.49680 0.05000 0.02267 Si1 0.21120 0.10810 0.80190 1.00000 0.02229 Si2 0.79720 0.11140 0.19720 1.00000 0.01469 Si3 0.32250 0.11080 0.24350 1.00000 0.01786 Si4 0.69030 0.11150 0.75180 1.00000 0.01849 O1 0.23960 0.12910 0.02600 1.00000 0.03673 O2 0.77500 0.13040 0.98100 1.00000 0.02660 O3 0.27480 0.17990 0.73400 1.00000 0.02153 O4 0.73230 0.18240 0.26800 1.00000 0.02913 O5 0.10310 0.23020 0.38700 1.00000 0.01773 O6 0.90640 0.22750 0.60100 1.00000 0.02533 O7 0.25060 0.00000 0.79400 1.00000 0.01773 O8 0.76200 0.00000 0.21200 1.00000 0.03293 O9 0.42530 0.17780 0.30900 1.00000 0.02786 O10 0.58610 0.18170 0.69600 1.00000 0.02533 O11 0.27020 0.12730 0.38800 1.00000 0.02533 O12 0.74550 0.12920 0.61900 1.00000 0.02786 O13 0.36750 0.00000 0.26700 1.00000 0.02153 O14 0.65200 0.00000 0.73700 1.00000 0.02786 O15 0.08740 0.11740 0.67700 1.00000 0.02660 O16 0.92320 0.11890 0.33300 1.00000 0.01900 Wat1 0.10600 0.00000 0.34300 0.90000 0.07472 Ba1 0.10600 0.00000 0.34300 0.10000 0.07472 Wat2 0.90700 0.00000 0.65500 0.90000 0.05446 K2 0.90700 0.00000 0.65500 0.10000 0.05446 Wat3 0.51600 0.12800 0.04900 0.67000 0.07599 Wat4 0.01100 0.15000 0.00000 0.88000 0.07979