data_global _chemical_name_mineral 'Kudryavtsevaite' loop_ _publ_author_name 'Anashkin S' 'Bovkun A' 'Bindi L' 'Garanin V' 'Litvin Y' _journal_name_full 'Mineralogical Magazine' _journal_volume 77 _journal_year 2013 _journal_page_first 327 _journal_page_last 334 _publ_section_title ; Kudryavtsevaite, Na3MgFe3+Ti4O12, a new kimberlitic mineral ; _database_code_amcsd 0019835 _chemical_compound_source 'Orapa area, Botswana' _chemical_formula_sum 'Na2.862 Ca.138 Mg.764 Fe1.68 Ti3.556 O12' _cell_length_a 27.714 _cell_length_b 2.9881 _cell_length_c 11.3564 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 940.448 _exptl_crystal_density_diffrn 3.856 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-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 NaA1 0.13084 0.75000 0.10294 1.00000 0.03650 NaA2 0.46383 0.75000 0.10029 1.00000 0.03220 NaA3 0.79699 0.75000 0.10885 0.86200 0.03610 CaA3 0.79699 0.75000 0.10885 0.13800 0.03610 MgM1 0.00631 0.25000 0.12027 0.76400 0.03040 FeM1 0.00631 0.25000 0.12027 0.23600 0.03040 FeM2 0.33943 0.25000 0.11998 0.73200 0.02690 TiM2 0.33943 0.25000 0.11998 0.26800 0.02690 FeM3 0.67279 0.25000 0.12058 0.69800 0.03010 TiM3 0.67279 0.25000 0.12058 0.30200 0.03010 TiM4 0.07668 0.75000 0.33797 0.98600 0.02690 FeM4 0.07668 0.75000 0.33797 0.01400 0.02690 TiM5 0.40996 0.75000 0.33855 1.00000 0.02870 TiM6 0.74352 0.75000 0.33743 1.00000 0.03000 O1 0.04152 0.75000 0.18440 1.00000 0.03330 O2 0.37527 0.75000 0.18610 1.00000 0.03380 O3 0.70814 0.75000 0.18560 1.00000 0.03530 O4 0.04332 0.25000 0.40470 1.00000 0.03270 O5 0.37631 0.25000 0.40630 1.00000 0.03330 O6 0.70958 0.25000 0.40510 1.00000 0.03070 O7 0.11918 0.25000 0.27160 1.00000 0.03240 O8 0.45245 0.25000 0.27230 1.00000 0.03080 O9 0.78577 0.25000 0.27240 1.00000 0.03380 O10 0.13000 0.75000 0.45800 1.00000 0.03320 O11 0.46455 0.75000 0.46030 1.00000 0.03230 O12 0.79798 0.75000 0.45990 1.00000 0.03450 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 NaA1 0.03620 0.03660 0.03670 0.00000 -0.00040 0.00000 NaA2 0.03200 0.03150 0.03290 0.00000 0.00020 0.00000 NaA3 0.03580 0.03580 0.03660 0.00000 -0.00030 0.00000 CaA3 0.03580 0.03580 0.03660 0.00000 -0.00030 0.00000 MgM1 0.02930 0.03020 0.03160 0.00000 -0.00030 0.00000 FeM1 0.02930 0.03020 0.03160 0.00000 -0.00030 0.00000 FeM2 0.02650 0.02675 0.02750 0.00000 -0.00010 0.00000 TiM2 0.02650 0.02675 0.02750 0.00000 -0.00010 0.00000 FeM3 0.02970 0.02992 0.03070 0.00000 -0.00020 0.00000 TiM3 0.02970 0.02992 0.03070 0.00000 -0.00020 0.00000 TiM4 0.02650 0.02667 0.02770 0.00000 -0.00010 0.00000 FeM4 0.02650 0.02667 0.02770 0.00000 -0.00010 0.00000 TiM5 0.02850 0.02822 0.02940 0.00000 0.00010 0.00000 TiM6 0.02950 0.02934 0.03100 0.00000 -0.00010 0.00000 O1 0.03250 0.03400 0.03340 0.00000 0.00130 0.00000 O2 0.03380 0.03270 0.03490 0.00000 -0.00010 0.00000 O3 0.03500 0.03430 0.03650 0.00000 -0.00010 0.00000 O4 0.03130 0.03200 0.03500 0.00000 0.00010 0.00000 O5 0.03200 0.03260 0.03500 0.00000 0.00040 0.00000 O6 0.03010 0.02920 0.03300 0.00000 0.00020 0.00000 O7 0.03130 0.03110 0.03500 0.00000 0.00120 0.00000 O8 0.03030 0.02990 0.03200 0.00000 0.00020 0.00000 O9 0.03290 0.03310 0.03500 0.00000 0.00070 0.00000 O10 0.03340 0.03250 0.03400 0.00000 -0.00020 0.00000 O11 0.03160 0.03100 0.03400 0.00000 0.00070 0.00000 O12 0.03360 0.03400 0.03600 0.00000 -0.00010 0.00000