data_global _amcsd_formula_title 'Ba2.35 Ge2 N2 Sr0.65' loop_ _publ_author_name 'Clarke S' 'DiSalvo F' _journal_name_full 'Journal of Alloys and Compounds' _journal_volume 259 _journal_year 1997 _journal_page_first 158 _journal_page_last 162 _publ_section_title ; Synthesis and structure of the subnitrides Ba2GeGaN and (Bax Sr1-x)3Ge2N2; x = 0.7 _cod_database_code 1005041 ; _database_code_amcsd 0012796 _chemical_formula_sum '(Ba2.35 Sr.65) Ge2 N2' _cell_length_a 9.5109 _cell_length_b 4.0201 _cell_length_c 10.0412 _cell_angle_alpha 90 _cell_angle_beta 113.06 _cell_angle_gamma 90 _cell_volume 353.246 _exptl_crystal_density_diffrn 5.198 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-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 Ba1 0.02770 0.25000 0.17330 0.63000 Sr1 0.02770 0.25000 0.17330 0.37000 Ba2 0.61540 0.25000 0.85510 0.96000 Sr2 0.61540 0.25000 0.85510 0.04000 Ba3 0.81340 0.25000 0.44240 0.76000 Sr3 0.81340 0.25000 0.44240 0.24000 Ge1 0.24620 0.25000 0.84700 1.00000 Ge2 0.42120 0.25000 0.44550 1.00000 N1 0.18000 0.25000 0.00000 1.00000 N2 0.06700 0.25000 0.67300 1.00000 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 Ba1 0.01570 0.01000 0.01170 0.00000 0.00560 0.00000 Sr1 0.01570 0.01000 0.01170 0.00000 0.00560 0.00000 Ba2 0.01460 0.01170 0.01220 0.00000 0.00310 0.00000 Sr2 0.01460 0.01170 0.01220 0.00000 0.00310 0.00000 Ba3 0.01510 0.01050 0.01070 0.00000 0.00420 0.00000 Sr3 0.01510 0.01050 0.01070 0.00000 0.00420 0.00000 Ge1 0.01370 0.01400 0.01020 0.00000 0.00300 0.00000 Ge2 0.01940 0.01090 0.01490 0.00000 0.00460 0.00000