data_global _chemical_name_mineral 'Nordenskioldine' loop_ _publ_author_name 'Effenberger H' 'Zemann J' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1986 _journal_year 1986 _journal_page_first 111 _journal_page_last 114 _publ_section_title ; The detailed crystal structure of nordenskioeldine, CaSn(BO3)2 ; _database_code_amcsd 0014799 _chemical_compound_source 'Stiepelman mine, SW Africa' _chemical_formula_sum 'Ca Sn B2 O6' _cell_length_a 4.858 _cell_length_b 4.858 _cell_length_c 16.0800 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 328.648 _exptl_crystal_density_diffrn 4.190 _symmetry_space_group_name_H-M 'R -3' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ca 0.00000 0.00000 0.00000 Sn 0.00000 0.00000 0.50000 B 0.00000 0.00000 0.23950 O 0.26630 -0.03130 0.24170 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 Ca 0.00670 0.00670 0.00610 0.00335 0.00000 0.00000 Sn 0.00340 0.00340 0.00460 0.00170 0.00000 0.00000 B 0.00500 0.00500 0.00590 0.00250 0.00000 0.00000 O 0.00590 0.00730 0.00910 0.00440 -0.00130 -0.00320