data_global
_chemical_name_mineral 'Gurimite'
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 = 0.5
;
_database_code_amcsd 0020499
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Ba2.5 Sr.5) V2 O8'
_cell_length_a 5.7617
_cell_length_b 5.7617
_cell_length_c 21.1048
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 606.755
_exptl_crystal_density_diffrn      5.066
_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   0.83400   0.01697
Sr1   0.00000   0.00000   0.00000   0.16600   0.01697
Sr2   0.00000   0.00000   0.79510   0.16700   0.01697
Ba2   0.00000   0.00000   0.79510   0.83300   0.01697
V1   0.00000   0.00000   0.59290   1.00000   0.00507
O1   0.00000   0.00000   0.66930   1.00000   0.02090
O2   0.49040   0.50960   0.23350   1.00000   0.02090