data_global _chemical_name_mineral 'Kumtyubeite' loop_ _publ_author_name 'Galuskina I O' 'Lazic B' 'Armbruster T' 'Galuskin E V' 'Gazeev V M' 'Zadov A E' 'Pertsev N N' 'Jezak L' 'Wrzalik R' 'Gurbanov A G' _journal_name_full 'American Mineralogist' _journal_volume 94 _journal_year 2009 _journal_page_first 1361 _journal_page_last 1370 _publ_section_title ; Kumtyubeite Ca5(SiO4)2F2 - A new calcium mineral of the humite group from Northern Caucasus, Kabardino-Balkaria, Russia ; _database_code_amcsd 0004983 _chemical_compound_source 'Northern Caucasus, Kabardino-Balkaria, Russia' _chemical_formula_sum 'Ca5 Si2 O8.6 F1.4 H.6' _cell_length_a 11.44637 _cell_length_b 5.05135 _cell_length_c 8.85234 _cell_angle_alpha 90 _cell_angle_beta 108.8625 _cell_angle_gamma 90 _cell_volume 484.352 _exptl_crystal_density_diffrn 2.889 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+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 Ca1 0.50000 0.00000 0.50000 1.00000 0.00872 Ca2 0.16958 0.00430 0.30946 1.00000 0.00788 Ca3 0.38125 0.00820 0.07805 1.00000 0.00829 Si1 0.35382 0.57472 0.29754 1.00000 0.00617 O1 0.48464 0.70458 0.29303 1.00000 0.00864 O2 0.24752 0.70644 0.14423 1.00000 0.00875 O3 0.33001 0.70447 0.45559 1.00000 0.00855 O4 0.35279 0.25353 0.29649 1.00000 0.00938 O5 0.04660 0.21610 0.07430 0.30000 0.01300 F5 0.05554 0.25810 0.09880 0.70000 0.01300 H 0.01500 0.05200 0.02400 0.30000 0.05000 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 Ca1 0.00913 0.00746 0.00819 -0.00112 0.00090 -0.00114 Ca2 0.00735 0.00832 0.00829 0.00047 0.00295 -0.00020 Ca3 0.00878 0.00876 0.00740 -0.00004 0.00269 0.00086 Si1 0.00674 0.00521 0.00647 0.00006 0.00201 -0.00006 O1 0.00750 0.00880 0.00980 -0.00010 0.00310 -0.00020 O2 0.00860 0.00870 0.00780 0.00020 0.00100 0.00070 O3 0.00990 0.00850 0.00770 0.00040 0.00350 -0.00030 O4 0.01070 0.00610 0.01130 0.00000 0.00350 -0.00010