data_global _amcsd_formula_title 'Ca0.75 K6.5 Nb14 O47 Si4' loop_ _publ_author_name 'Borel M' 'Chardon J' 'Grandin A' 'Leclaire A' 'Raveau B' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 49 _journal_year 1993 _journal_page_first 570 _journal_page_last 571 _publ_section_title ; Structure of a new siliconiobate K6.5 Ca0.75 Nb14 Si4 O47 _cod_database_code 1001861 ; _database_code_amcsd 0010283 _chemical_formula_sum 'Nb14 Si4 K6.5 Ca.75 O47' _cell_length_a 9.046 _cell_length_b 9.046 _cell_length_c 27.883 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1975.983 _exptl_crystal_density_diffrn 4.116 _symmetry_space_group_name_H-M 'P 63/m c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,z' 'x,x-y,-z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' '-y,-x,1/2+z' 'y,x,1/2-z' 'y,-x+y,-z' '-y,x-y,z' 'x-y,-y,z' '-x+y,y,-z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x,x-y,1/2+z' '-x,-x+y,1/2-z' 'x-y,x,-z' '-x+y,-x,z' 'y,x,z' '-y,-x,-z' '-y,x-y,1/2-z' 'y,-x+y,1/2+z' '-x+y,y,1/2+z' 'x-y,-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 Nb1 0.24520 0.00000 0.04437 1.00000 Nb2 0.23777 0.00000 0.18222 1.00000 Nb3 0.33333 0.66667 0.00000 1.00000 Si1 0.33333 0.66667 0.19176 1.00000 K1 0.59240 0.00000 0.10739 1.00000 K2 0.60180 0.00000 0.25000 0.16670 Ca1 0.60180 0.00000 0.25000 0.25000 O1 0.21720 0.00000 0.11060 1.00000 O2 0.27520 0.00000 0.25000 1.00000 O3 0.19730 0.00000 0.53280 1.00000 O4 0.17440 0.00000 0.68620 1.00000 O5 0.33333 0.66667 0.25000 1.00000 O6 0.18170 0.48560 0.17310 1.00000 O7 0.16840 0.48150 0.45840 1.00000