data_global _amcsd_formula_title 'NaMg4(AsO4)3' loop_ _publ_author_name 'Anissa H A' 'Brahim A' 'Amor H' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 60 _journal_year 2004 _journal_page_first i77 _journal_page_last i79 _publ_section_title ; NaMg4(AsO4)3 ; _database_code_amcsd 0010433 _chemical_formula_sum 'Na Mg4 As3 O12' _cell_length_a 6.8170 _cell_length_b 6.8170 _cell_length_c 19.242 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 894.204 _exptl_crystal_density_diffrn 3.989 _symmetry_space_group_name_H-M 'I -4 2 d' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/2-y,-x,3/4+z' '-y,1/2-x,1/4+z' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' '-x,1/2+y,1/4-z' '1/2-x,+y,3/4-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' '1/2+y,x,3/4+z' '+y,1/2+x,1/4+z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' 'x,1/2-y,1/4-z' '1/2+x,-y,3/4-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Na 0.50000 -0.50000 0.00000 0.01280 Mg1 0.00000 -0.50000 0.02054 0.00610 Mg2 0.75880 -0.75000 0.12500 0.00640 As1 0.00000 0.00000 0.00000 0.00350 As2 0.34467 -0.75000 0.12500 0.00424 O1 0.50640 -0.79590 0.05961 0.00770 O2 0.22270 -0.54600 0.09958 0.00700 O3 -0.05810 0.20680 0.04410 0.00730 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 0.01210 0.01210 0.01410 0.00000 0.00000 0.00000 Mg1 0.00900 0.00520 0.00410 0.00000 0.00000 0.00000 Mg2 0.00590 0.00760 0.00560 0.00000 0.00000 0.00140 As1 0.00370 0.00370 0.00320 0.00000 0.00000 0.00000 As2 0.00480 0.00380 0.00410 0.00000 0.00000 0.00000 O1 0.00780 0.01040 0.00500 0.00040 0.00000 -0.00230 O2 0.00960 0.00260 0.00890 0.00130 -0.00220 0.00000 O3 0.01010 0.00480 0.00720 -0.00060 0.00160 -0.00380