data_global _amcsd_formula_title 'NaAlSiO4' loop_ _publ_author_name 'Yamada H' 'Matsui Y' 'Ito E' _journal_name_full 'Mineralogical Magazine' _journal_volume 47 _journal_year 1983 _journal_page_first 177 _journal_page_last 181 _publ_section_title ; Crystal-chemical characterization of NaAlSiO4 with the CaFe2O4 structure Note: z-coordinate of O4 altered to reproduce bond lengths ; _database_code_amcsd 0014477 _chemical_formula_sum 'Na (Al Si) O4' _cell_length_a 10.1546 _cell_length_b 8.6642 _cell_length_c 2.7385 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 240.937 _exptl_crystal_density_diffrn 3.916 _symmetry_space_group_name_H-M 'P b n m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-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 Na 0.66100 0.76400 0.75000 1.00000 0.00760 AlM1 0.89000 0.57700 0.25000 0.50000 0.00633 SiM1 0.89000 0.57700 0.25000 0.50000 0.00633 AlM2 0.39800 0.55600 0.25000 0.50000 0.00633 SiM2 0.39800 0.55600 0.25000 0.50000 0.00633 O1 0.36500 0.69700 0.75000 1.00000 0.00760 O2 0.01800 0.61200 0.75000 1.00000 0.00760 O3 0.20100 0.46100 0.25000 1.00000 0.00760 O4 0.43000 0.43800 0.75000 1.00000 0.00760