data_global _chemical_name_mineral 'Gainesite' loop_ _publ_author_name 'Moore P B' 'Araki T' 'Steele I M' 'Swihart G H' 'Kampf A R' _journal_name_full 'American Mineralogist' _journal_volume 68 _journal_year 1983 _journal_page_first 1022 _journal_page_last 1028 _publ_section_title ; Gainesite, sodium zirconium beryllophosphate: A new mineral and its crystal structure ; _database_code_amcsd 0000922 _chemical_formula_sum 'Na.956 Zr Be.5 P2 O8' _cell_length_a 6.567 _cell_length_b 6.567 _cell_length_c 17.119 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 738.265 _exptl_crystal_density_diffrn 2.768 _symmetry_space_group_name_H-M 'I 41/a m d' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/4-y,3/4-x,1/4+z' '3/4-y,1/4-x,3/4+z' '1/4+y,3/4+x,1/4-z' '3/4+y,1/4+x,3/4-z' '1/4+y,3/4-x,1/4-z' '3/4+y,1/4-x,3/4-z' '1/4-y,3/4+x,1/4+z' '3/4-y,1/4+x,3/4+z' '1/2+x,-y,1/2+z' '+x,1/2-y,+z' '1/2-x,y,1/2-z' '-x,1/2+y,-z' '1/2+x,y,1/2-z' '+x,1/2+y,-z' '1/2-x,-y,1/2+z' '-x,1/2-y,+z' '1/4+y,1/4+x,3/4+z' '3/4+y,3/4+x,1/4+z' '1/4-y,1/4-x,3/4-z' '3/4-y,3/4-x,1/4-z' '1/4-y,1/4+x,3/4-z' '3/4-y,3/4+x,1/4-z' '1/4+y,1/4-x,3/4+z' '3/4+y,3/4-x,1/4+z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na1 0.00000 0.03520 0.03520 0.13500 Na2 0.00000 0.66540 0.03980 0.10400 Zr 0.00000 0.25000 0.37500 1.00000 Be 0.00000 0.75000 0.12500 0.50000 P 0.00000 0.17600 0.17420 0.50000 O1 0.00000 0.25000 0.25510 1.00000 O2 0.00000 0.56450 0.37810 1.00000 O3 0.00000 0.55400 0.18260 0.50000 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 Na1 0.04326 0.07516 0.03118 0.00000 0.00000 0.03816 Na2 0.03146 0.12781 0.04009 0.00000 0.00000 0.03303 Zr 0.00787 0.00787 0.01039 0.00000 0.00000 0.00000 Be 0.03365 0.03365 0.02821 0.00000 0.00000 0.00000 P 0.00765 0.01158 0.01039 0.00000 0.00000 -0.00114 O1 0.02338 0.02338 0.01485 0.00000 0.00000 0.00000 O2 0.02381 0.00808 0.01782 0.00000 0.00000 -0.00171 O3 0.02731 0.01245 0.02375 0.00000 0.00000 0.00114