data_global _chemical_name_mineral 'Caryinite' loop_ _publ_author_name 'Ercit T S' _journal_name_full 'Mineralogical Magazine' _journal_volume 57 _journal_year 1993 _journal_page_first 721 _journal_page_last 727 _publ_section_title ; Caryinite revisited ; _database_code_amcsd 0014503 _chemical_compound_source 'Langban, Sweden' _chemical_formula_sum 'Ca1.91 Na1.376 Pb.384 Mn1.77 Mg.56 (As2.892 P.09 V.018) O12' _cell_length_a 6.855 _cell_length_b 13.147 _cell_length_c 11.479 _cell_angle_alpha 90 _cell_angle_beta 98.97 _cell_angle_gamma 90 _cell_volume 1021.866 _exptl_crystal_density_diffrn 4.621 _symmetry_space_group_name_H-M 'I 1 2/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/2-x,y,-z' '-x,1/2+y,1/2-z' '1/2+x,-y,z' '+x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,1/2-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 CaX1 0.02680 0.00230 0.51370 0.62000 0.01700 NaX1 0.02680 0.00230 0.51370 0.38000 0.01700 NaX2 0.25000 0.02460 0.00000 0.61600 0.02580 PbX2 0.25000 0.02460 0.00000 0.38400 0.02580 CaM1 0.25000 0.73500 0.00000 0.67000 0.01740 MnM1 0.25000 0.73500 0.00000 0.33000 0.01740 MnM2 0.08490 0.15750 0.22290 0.72000 0.01700 MgM2 0.08490 0.15750 0.22290 0.28000 0.01700 As1 0.25000 0.28360 0.00000 0.96400 0.01600 P1 0.25000 0.28360 0.00000 0.03000 0.01600 V1 0.25000 0.28360 0.00000 0.00600 0.01600 As2 0.10590 0.89060 0.23420 0.96400 0.01580 P2 0.10590 0.89060 0.23420 0.03000 0.01580 V2 0.10590 0.89060 0.23420 0.00600 0.01580 O1 0.07750 0.20830 0.04350 1.00000 0.02380 O2 0.15910 0.12720 0.40190 0.62000 0.02000 O2* 0.10760 0.14010 0.40270 0.38000 0.02000 O3 0.27450 0.83260 0.16440 1.00000 0.02090 O4 0.19020 0.90760 0.37860 1.00000 0.02380 O5 0.10190 0.32080 0.27730 1.00000 0.02140 O6 0.05200 0.00210 0.16350 1.00000 0.02200 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 NaX2 0.02440 0.02820 0.02660 0.00000 0.00910 0.00000 PbX2 0.02440 0.02820 0.02660 0.00000 0.00910 0.00000 CaM1 0.02020 0.01490 0.01650 0.00000 0.00110 0.00000 MnM1 0.02020 0.01490 0.01650 0.00000 0.00110 0.00000 MnM2 0.01580 0.01780 0.01760 -0.00130 0.00300 0.00080 MgM2 0.01580 0.01780 0.01760 -0.00130 0.00300 0.00080 As1 0.01620 0.01630 0.01690 0.00000 0.00670 0.00000 P1 0.01620 0.01630 0.01690 0.00000 0.00670 0.00000 V1 0.01620 0.01630 0.01690 0.00000 0.00670 0.00000 As2 0.01520 0.01620 0.01710 -0.00030 0.00590 0.00040 P2 0.01520 0.01620 0.01710 -0.00030 0.00590 0.00040 V2 0.01520 0.01620 0.01710 -0.00030 0.00590 0.00040 O1 0.01890 0.03450 0.01960 -0.01050 0.00780 0.00040 O3 0.01690 0.01930 0.02850 -0.00080 0.00990 -0.00460 O4 0.02730 0.02570 0.01910 0.00070 0.00550 -0.00160 O5 0.01590 0.02350 0.02630 0.00050 0.00740 0.00070 O6 0.02480 0.01720 0.02480 -0.00010 0.00650 0.00240