data_global _chemical_name_mineral 'Grigorievite' 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 0020493 _chemical_compound_source 'Great Tolbachik Fissure Eruption, Kamchatka, Russia' _chemical_formula_sum 'Cu1.99 Mg.64 Ca.2 Fe1.6 Al2.2 Ti.2 (V5.94 P.06) O24' _cell_length_a 8.0217 _cell_length_b 9.6858 _cell_length_c 6.5475 _cell_angle_alpha 103.645 _cell_angle_beta 102.369 _cell_angle_gamma 106.281 _cell_volume 452.598 _exptl_crystal_density_diffrn 3.657 _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 Cu1 0.79085 0.79860 0.77639 0.68000 0.01820 Mg1 0.79085 0.79860 0.77639 0.32000 0.01820 Cu2 0.00000 0.50000 0.50000 0.63000 0.03090 Ca1 0.00000 0.50000 0.50000 0.20000 0.03090 Fe1 0.54933 0.39565 0.12342 0.47000 0.00910 Al1 0.54933 0.39565 0.12342 0.43000 0.00910 Ti1 0.54933 0.39565 0.12342 0.10000 0.00910 Al2 0.30022 0.98867 0.45950 0.67000 0.00880 Fe2 0.30022 0.98867 0.45950 0.33000 0.00880 V1 0.40396 0.66669 0.38827 0.99000 0.01120 P1 0.40396 0.66669 0.38827 0.01000 0.01120 V2 0.84538 0.73827 0.28091 0.99000 0.01040 P2 0.84538 0.73827 0.28091 0.01000 0.01040 V3 0.76808 0.12465 0.09204 0.99000 0.01090 P3 0.76808 0.12465 0.09204 0.01000 0.01090 O1 0.44220 0.85890 0.42130 1.00000 0.01210 O2 0.47520 0.34840 0.37200 1.00000 0.01680 O3 0.80760 0.55540 0.29230 1.00000 0.02050 O4 0.22180 0.16100 0.50650 1.00000 0.01630 O5 0.26750 0.01020 0.16410 1.00000 0.01720 O6 0.46450 0.57520 0.16470 1.00000 0.01540 O7 0.73520 0.73890 0.02500 1.00000 0.01730 O8 0.06480 0.82580 0.33160 1.00000 0.01850 O9 0.18950 0.58130 0.35990 1.00000 0.02540 O10 -0.00850 0.23790 0.20630 1.00000 0.03050 O11 0.70790 0.02960 0.26330 1.00000 0.01750 O12 0.64990 0.24040 0.07100 1.00000 0.02270