data_global _chemical_name_mineral 'Bakhchisaraitsevite' loop_ _publ_author_name 'Yakubovich O V' 'Massa W' 'Liferovich R P' 'Pakhomovsky Y A' _journal_name_full 'The Canadian Mineralogist' _journal_volume 38 _journal_year 2000 _journal_page_first 831 _journal_page_last 838 _publ_section_title ; The crystal structure of bakhchisaraitsevite, [Na2(H2O)2]{(Mg4.5Fe0.5)(PO4)4(H2O)5}, a new mineral species of hydrothermal origin from the Kovdor phoscorite - carbonatite complex, Russia ; _database_code_amcsd 0005687 _chemical_compound_source 'Kovdor phoscorite - carbonatite complex, Russia' _chemical_formula_sum '(Mg4.472 Fe.528) P4 Na2 O23 H15' _cell_length_a 8.3086 _cell_length_b 12.906 _cell_length_c 17.486 _cell_angle_alpha 90 _cell_angle_beta 102.01 _cell_angle_gamma 90 _cell_volume 1833.996 _exptl_crystal_density_diffrn 2.503 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-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 Mg1 -0.13637 -0.07430 0.44872 0.76700 0.00670 Fe1 -0.13637 -0.07430 0.44872 0.23300 0.00670 Mg2 0.21678 -0.08847 0.26602 0.88300 0.00620 Fe2 0.21678 -0.08847 0.26602 0.11700 0.00620 Mg3 0.31471 0.17700 0.26855 0.91000 0.00600 Fe3 0.31471 0.17700 0.26855 0.09000 0.00600 Mg4 0.30351 -0.31843 0.25206 0.94300 0.00540 Fe4 0.30351 -0.31843 0.25206 0.05700 0.00540 Mg5 -0.18402 -0.09404 0.24526 0.96900 0.00580 Fe5 -0.18402 -0.09404 0.24526 0.03100 0.00580 P1 0.04373 0.07984 0.35341 1.00000 0.00490 P2 0.03566 -0.25540 0.35853 1.00000 0.00510 P3 0.55106 0.34764 0.36123 1.00000 0.00790 P4 -0.42473 0.00711 0.35771 1.00000 0.00660 Na1 0.16505 0.70359 0.05837 1.00000 0.02210 Na2 -0.40446 0.14046 0.53562 1.00000 0.03040 O1 0.02926 -0.18673 0.42911 1.00000 0.01020 O2 -0.34867 0.03660 0.44224 1.00000 0.01310 O3 0.02394 0.04749 0.43601 1.00000 0.00740 O4 -0.28976 -0.06189 0.33479 1.00000 0.01030 O5 0.55835 0.46566 0.37550 1.00000 0.01080 O6 0.02633 -0.01600 0.30043 1.00000 0.00680 O7 0.18998 -0.22723 0.32508 1.00000 0.00760 O8 0.59606 0.29045 0.43881 1.00000 0.01420 O9 0.67195 0.32070 0.30722 1.00000 0.00850 O10 0.04596 -0.37083 0.38160 1.00000 0.00840 O11 -0.58065 -0.05757 0.34911 1.00000 0.01260 O12 -0.45943 0.10304 0.30425 1.00000 0.00780 O13 -0.11993 -0.23818 0.29423 1.00000 0.00750 O14 0.37649 0.31992 0.31694 1.00000 0.00770 O15 -0.09132 0.15944 0.32326 1.00000 0.00750 O16 0.21202 0.13008 0.35773 1.00000 0.00830 OW1 0.23229 0.04585 0.19733 1.00000 0.00790 H1 0.29500 0.02500 0.16800 1.00000 0.02800 H2 0.14100 0.06600 0.17000 1.00000 0.02800 OW2 -0.01579 -0.13758 0.17512 1.00000 0.00930 H3 0.01200 -0.20300 0.17800 1.00000 0.02600 H4 -0.02300 -0.11600 0.12900 1.00000 0.02600 OW3 0.45950 0.22384 0.17696 1.00000 0.00990 H5 0.45000 0.19300 0.13300 1.00000 0.03600 H6 0.44400 0.28800 0.16900 1.00000 0.03600 OW4 0.26955 -0.45535 0.31726 1.00000 0.00810 H7 0.20600 -0.42800 0.34400 1.00000 0.03700 H8 0.36100 -0.48000 0.34100 1.00000 0.03700 OW5 0.29515 0.17696 0.50720 1.00000 0.01640 H9 0.30000 0.24200 0.51200 1.00000 0.04100 H10 0.28800 0.16700 0.45800 1.00000 0.04100 OW6 0.58900 0.62982 0.46553 1.00000 0.02680 H11 0.52400 0.65100 0.49400 1.00000 0.05900 H12 0.56800 0.56800 0.44900 1.00000 0.05900 H13 0.66500 0.60000 0.49800 1.00000 0.05900 OW7a -0.04100 0.88350 0.02590 0.43000 0.02860 H14 0.01800 0.88700 -0.01200 1.00000 0.06900 OW7b 0.06970 0.89560 0.03700 0.57000 0.02860 H15 -0.13900 0.90300 0.00800 0.43000 0.06900 H16 0.16700 0.92000 0.04700 0.57000 0.06900