data_global _chemical_name_mineral 'Nyerereite' loop_ _publ_author_name 'McKie D' 'Frankis E J' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 145 _journal_year 1977 _journal_page_first 73 _journal_page_last 95 _publ_section_title ; Nyerereite: A new volcanic carbonate mineral from Oldoinyo Lengai, Tanzania Note: high-temperature polymorph with an structure that has been inferred ; _database_code_amcsd 0010791 _chemical_compound_source 'Oldoinyo Lengai, Tanzania' _chemical_formula_sum 'Ca Na1.64 K.36 C2 O6' _cell_length_a 5.05 _cell_length_b 5.05 _cell_length_c 12.85 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 283.803 _exptl_crystal_density_diffrn 2.479 _symmetry_space_group_name_H-M 'P 63 m c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x-y,x,1/2+z' '-y,-x,z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x,-y,1/2+z' 'x,x-y,z' '-x+y,-x,z' 'y,x,1/2+z' 'y,-x+y,1/2+z' '-x+y,y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca 0.00000 0.00000 0.00000 1.00000 Na 0.33333 0.66667 0.82500 0.64000 K 0.33333 0.66667 0.82500 0.36000 Na 0.33333 0.66667 0.12500 1.00000 C 0.33333 0.66667 0.50000 1.00000 C 0.00000 0.00000 0.25000 1.00000 O 0.48000 0.52000 0.50000 1.00000 O 0.15000 0.85000 0.25000 1.00000