data_global _chemical_name_mineral 'Reedmergnerite' loop_ _publ_author_name 'Fleet M E' _journal_name_full 'American Mineralogist' _journal_volume 77 _journal_year 1992 _journal_page_first 76 _journal_page_last 84 _publ_section_title ; Tetrahedral-site occupancies in reedmergnerite and synthetic boron albite (NaBSi3O8) sample from Utah ; _database_code_amcsd 0001439 _chemical_formula_sum 'Na B Si3 O8' _cell_length_a 7.8388 _cell_length_b 12.3730 _cell_length_c 6.8082 _cell_angle_alpha 93.324 _cell_angle_beta 116.381 _cell_angle_gamma 92.014 _cell_volume 589.191 _exptl_crystal_density_diffrn 2.774 _symmetry_space_group_name_H-M 'C -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Na 0.25820 0.00750 0.13300 B1o 0.01210 0.16160 0.22150 Si1m 0.00585 0.80969 0.20966 Si2o 0.70278 0.10177 0.32033 Si2m 0.68471 0.86450 0.35438 Oa1 0.00770 0.13630 0.00370 Oa2 0.59310 0.98130 0.27570 Obo 0.84490 0.09890 0.21160 Obm 0.81610 0.83490 0.23360 Oco 0.00680 0.27650 0.27330 Ocm 0.02900 0.67980 0.20600 Odo 0.19040 0.11860 0.38290 Odm 0.19210 0.86800 0.41710 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 Na 0.01178 0.02407 0.01950 0.00266 0.00519 -0.00773 B1o 0.00747 0.00646 0.00608 0.00013 0.00342 0.00063 Si1m 0.00595 0.00494 0.00431 0.00177 0.00253 0.00101 Si2o 0.00545 0.00418 0.00545 0.00089 0.00228 0.00063 Si2m 0.00532 0.00431 0.00532 0.00140 0.00266 0.00101 Oa1 0.01241 0.00849 0.00507 0.00190 0.00507 0.00152 Oa2 0.00646 0.00443 0.00912 0.00114 0.00291 0.00177 Obo 0.01051 0.00899 0.01317 -0.00241 0.00861 -0.00152 Obm 0.00963 0.01254 0.01216 0.00317 0.00773 0.00127 Oco 0.00861 0.00519 0.01216 0.00013 0.00583 -0.00050 Ocm 0.00899 0.00570 0.00925 0.00304 0.00203 0.00114 Odo 0.01026 0.01178 0.00545 0.00494 0.00152 0.00127 Odm 0.01013 0.01076 0.00621 -0.00013 0.00127 -0.00063