data_global _chemical_name_mineral 'Alsakharovite-Zn' loop_ _publ_author_name 'Rozenberg K A' 'Rastsvetaeva R K' 'Pekov I V' 'Chukanov N V' _journal_name_full 'Doklady Chemistry' _journal_volume 383 _journal_year 2002 _journal_page_first 110 _journal_page_last 113 _publ_section_title ; New Zn-rich representative of the labuntsovite group: crystal structure and microtwinning Note: x-coordinate of O15 was changed ; _database_code_amcsd 0018493 _chemical_compound_source 'Lovozero alkaline massif, Kola Peninsula, Russia' _chemical_formula_sum '(Ti2.8 Nb1.2) Si8 (Zn.9 Fe.05 Mn.05) Na1.6 Ca Sr1.4 K.5 O32.87 H12.11 Ba.1' _cell_length_a 14.491 _cell_length_b 13.911 _cell_length_c 7.822 _cell_angle_alpha 90 _cell_angle_beta 117.59 _cell_angle_gamma 90 _cell_volume 1397.487 _exptl_crystal_density_diffrn 3.103 _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 Ti(1) -0.00020 0.23160 0.50020 0.70000 0.02305 Nb(1) -0.00020 0.23160 0.50020 0.30000 0.02305 Ti(2) 0.25140 0.24980 0.49560 0.70000 0.02432 Nb(2) 0.25140 0.24980 0.49560 0.30000 0.02432 Si(1) 0.21140 0.10820 0.80060 1.00000 0.02026 Si(2) 0.79650 0.11040 0.19700 1.00000 0.01520 Si(3) 0.32010 0.10990 0.24380 1.00000 0.02153 Si(4) 0.68880 0.11110 0.75100 1.00000 0.01393 Zn 0.00120 0.00000 0.49780 0.90000 0.02495 Fe 0.00120 0.00000 0.49780 0.05000 0.02495 Mn 0.00120 0.00000 0.49780 0.05000 0.02495 Na 0.92300 0.23670 0.01100 0.50000 0.03800 Ca 0.92300 0.23670 0.01100 0.50000 0.03800 Sr 0.50670 0.17990 0.00300 0.70000 0.04623 Na 0.50670 0.17990 0.00300 0.30000 0.04623 K 0.57570 0.00000 0.27800 0.50000 0.07346 Wat 0.57570 0.00000 0.27800 0.50000 0.07346 H 0.57570 0.00000 0.27800 0.50000 0.07346 Wat 0.42900 0.00000 0.73700 0.47000 0.12918 H 0.42900 0.00000 0.73700 0.47000 0.12918 O(1) 0.24180 0.12900 0.02200 1.00000 0.03926 O(2) 0.77500 0.12890 0.97900 1.00000 0.02026 O(3) 0.27300 0.17890 0.73400 1.00000 0.02406 O(4) 0.73030 0.18390 0.26500 1.00000 0.02406 O(5) 0.10200 0.23170 0.38500 0.65000 0.01520 O-H(5) 0.10200 0.23170 0.38500 0.35000 0.01520 O(6) 0.90500 0.22930 0.60200 0.65000 0.03926 O-H(6) 0.90500 0.22930 0.60200 0.35000 0.03926 O(7) 0.24780 0.00000 0.78800 1.00000 0.03040 O(8) 0.75790 0.00000 0.20700 1.00000 0.02280 O(9) 0.42010 0.17630 0.30500 1.00000 0.01900 O(10) 0.58730 0.18440 0.69600 1.00000 0.04053 O(11) 0.26850 0.12640 0.38200 1.00000 0.02660 O(12) 0.74500 0.13030 0.61900 1.00000 0.02280 O(13) 0.36600 0.00000 0.27400 1.00000 0.03800 O(14) 0.64850 0.00000 0.73300 1.00000 0.01773 O(15) 0.08590 0.12040 0.66800 1.00000 0.01773 O(16) 0.91940 0.11440 0.33500 1.00000 0.03166 Wat(2) 0.01500 0.13500 0.00200 1.00000 0.09246 Wat(3) 0.10300 0.00000 0.34900 1.00000 0.08866 Wat(4) 0.90770 0.00000 0.65500 0.90000 0.05446 Ba(4) 0.90770 0.00000 0.65500 0.10000 0.05446