data_global _amcsd_formula_title 'BaSr2(VO4)2' loop_ _publ_author_name 'Azdouz M' 'Manoun B' 'Essehli R' 'Azrour M' 'Bih L' 'Benmokhtar S' 'Ait Hou A' 'Lazor P' _journal_name_full 'Journal of Alloys and Compounds' _journal_volume 498 _journal_year 2010 _journal_page_first 42 _journal_page_last 51 _publ_section_title ; Crystal chemistry, Rietveld refinements and Raman spectroscopy studies of the new solid solution series: Ba3-xSrx(VO4)2 (0<=x<=3) Note: x = 2 ; _database_code_amcsd 0020502 _chemical_compound_source 'Synthetic' _chemical_formula_sum '(Ba Sr2) V2 O8' _cell_length_a 5.6792 _cell_length_b 5.6792 _cell_length_c 20.4821 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 572.110 _exptl_crystal_density_diffrn 4.723 _symmetry_space_group_name_H-M 'R -3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' 'y,x,-z' '2/3+y,1/3+x,1/3-z' '1/3+y,2/3+x,2/3-z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-x,-x+y,-z' '2/3-x,1/3-x+y,1/3-z' '1/3-x,2/3-x+y,2/3-z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' 'x-y,-y,-z' '2/3+x-y,1/3-y,1/3-z' '1/3+x-y,2/3-y,2/3-z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-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 Ba1 0.00000 0.00000 0.00000 0.38300 0.02077 Sr1 0.00000 0.00000 0.00000 0.61700 0.02077 Sr2 0.00000 0.00000 0.79630 0.69150 0.02077 Ba2 0.00000 0.00000 0.79630 0.30850 0.02077 V1 0.00000 0.00000 0.59400 1.00000 0.00925 O1 0.00000 0.00000 0.67010 1.00000 0.03052 O2 0.49300 0.50700 0.23250 1.00000 0.03052