data_global _chemical_name_mineral 'Koksharovite' loop_ _publ_author_name 'Pekov I V' 'Zubkova N V' 'Yapaskurt V O' 'Kartashov P M' 'Polekhovsky Y S' 'Murashko M N' 'Pushcharovsky D Y' _journal_name_full 'European Journal of Mineralogy' _journal_volume 26 _journal_year 2014 _journal_page_first 667 _journal_page_last 677 _publ_section_title ; Koksharovite, CaMg2Fe3+4(VO4)6, and grigorievite, Cu3Fe3+2Al2(VO4)6, two new howardevansite-group minerals from volcanic exhalations ; _database_code_amcsd 0020492 _chemical_compound_source 'Bezymyannyi volcano, Kamchatka, Russia' _chemical_formula_sum 'Fe1.45 Mg1.15 Al.3 Ti.15 Ca.35 Na.15 (V2.91 P.09) O12' _cell_length_a 8.1758 _cell_length_b 9.8292 _cell_length_c 6.6940 _cell_angle_alpha 105.041 _cell_angle_beta 102.040 _cell_angle_gamma 106.025 _cell_volume 476.023 _exptl_crystal_density_diffrn 3.382 _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 _atom_site_U_iso_or_equiv Fe1 0.54690 0.39402 0.12250 0.47000 0.00910 Mg1 0.54690 0.39402 0.12250 0.29000 0.00910 Al1 0.54690 0.39402 0.12250 0.15000 0.00910 Ti1 0.54690 0.39402 0.12250 0.07000 0.00910 Fe2 0.29390 0.98183 0.45740 0.53000 0.00650 Mg2 0.29390 0.98183 0.45740 0.24000 0.00650 Al2 0.29390 0.98183 0.45740 0.15000 0.00650 Ti2 0.29390 0.98183 0.45740 0.08000 0.00650 Mg3 0.78100 0.79880 0.77570 0.55000 0.00840 Fe3 0.78100 0.79880 0.77570 0.45000 0.00840 Ca1 0.01400 0.53200 0.54360 0.35000 0.01360 Na1 0.01400 0.53200 0.54360 0.08000 0.01360 Mg4 0.01400 0.53200 0.54360 0.07000 0.01360 Na2 0.02300 0.55600 0.99500 0.07000 0.01900 V1 0.41434 0.67055 0.39070 0.97000 0.00770 P1 0.41434 0.67055 0.39070 0.03000 0.00770 V2 0.83771 0.73729 0.27430 0.97000 0.00770 P2 0.83771 0.73729 0.27430 0.03000 0.00770 V3 0.77817 0.12779 0.09720 0.97000 0.00780 P3 0.77817 0.12779 0.09720 0.03000 0.00780 O1 0.44490 0.85720 0.41950 1.00000 0.01020 O2 0.46790 0.34360 0.37080 1.00000 0.01080 O3 0.79810 0.55780 0.27770 1.00000 0.01380 O4 0.22350 0.16340 0.51180 1.00000 0.01530 O5 0.25200 0.00640 0.15350 1.00000 0.01260 O6 0.46970 0.58040 0.16670 1.00000 0.01010 O7 0.72950 0.73880 0.02480 1.00000 0.01210 O8 0.05370 0.81770 0.32200 1.00000 0.01850 O9 0.20450 0.58390 0.35490 1.00000 0.02000 O10 0.99910 0.24040 0.21570 1.00000 0.02030 O11 0.71650 0.03680 0.26340 1.00000 0.01470 O12 0.66520 0.24400 0.08000 1.00000 0.02170