data_global _chemical_name_mineral 'Holtite' loop_ _publ_author_name 'Zubkova N V' 'Pushcharovskii D Y' 'Kabalov Y K' 'Kazantsev S S' 'Voloshin A V' _journal_name_full 'Crystallography Reports' _journal_volume 51 _journal_year 2006 _journal_page_first 16 _journal_page_last 22 _publ_section_title ; Crystal structure of holtite II ; _database_code_amcsd 0019758 _chemical_compound_source 'Kola Peninsula, Russia' _chemical_formula_sum 'Ta.3 Al6.12 Sb1.14 Si1.3 As.1 B O16.86' _cell_length_a 4.6893 _cell_length_b 11.881 _cell_length_c 20.394 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1136.223 _exptl_crystal_density_diffrn 3.991 _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 Ta1 0.41300 0.75000 0.25170 0.30000 0.01900 Al1 0.41300 0.75000 0.25170 0.26000 0.01900 Al2 0.55500 0.60800 0.47120 0.95000 0.01500 Sb2 0.55500 0.60800 0.47120 0.05000 0.01500 Al3 0.05900 0.49150 0.43200 1.00000 0.00900 Al4 0.06100 0.36040 0.28930 0.98000 0.01900 Sb1* 0.10300 0.75000 0.39110 0.44000 0.03900 Si2 0.58600 0.51300 0.33200 0.65000 0.01000 Sb2* 0.61900 0.55700 0.31920 0.30000 0.01000 As2* 0.61900 0.55700 0.31920 0.05000 0.01000 B 0.23000 0.25000 0.41200 1.00000 0.07000 O1 0.37800 0.75000 0.45400 1.00000 0.00100 O2 0.16500 0.75000 0.33200 0.56000 0.00100 O3 0.89500 0.63700 0.42580 1.00000 0.00100 O4 0.40000 0.43300 0.28260 1.00000 0.00100 O5 0.39600 0.55300 0.39400 1.00000 0.00100 O6 0.88600 0.45900 0.34930 1.00000 0.00100 O7 0.66900 0.64000 0.29000 0.65000 0.00100 O8 0.17400 0.25000 0.34600 1.00000 0.00100 O9 0.25100 0.34700 0.44490 1.00000 0.00100 O10 0.75300 0.25000 0.28000 1.00000 0.00100 O11 0.74600 0.46700 0.48930 1.00000 0.00100