data_global
_amcsd_formula_title 'Ba.5Sr2.5(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 = 2.5
;
_database_code_amcsd 0020503
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Ba.5 Sr2.5) V2 O8'
_cell_length_a 5.6498
_cell_length_b 5.6498
_cell_length_c 20.2789
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 560.585
_exptl_crystal_density_diffrn      4.600
_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   0.18800   0.01608
Sr1   0.00000   0.00000   0.00000   0.81200   0.01608
Sr2   0.00000   0.00000   0.79700   0.84400   0.01608
Ba2   0.00000   0.00000   0.79700   0.15600   0.01608
V1   0.00000   0.00000   0.59390   1.00000   0.00481
O1   0.00000   0.00000   0.67240   1.00000   0.02368
O2   0.49350   0.50650   0.23290   1.00000   0.02368