data_4300591
_journal_name_full  'Inorganic Chemistry'
_journal_year      2006
_publ_section_title
;
Design of a new family of inorganic compounds Ae2F2SnX3
(Ae= Sr, Ba; X = S, Se
;
loop_
_publ_author_name
 'Kabbour, Houria'
'Cario, Laurent'
'Danot, Michel'
'Meerschaut, Alain'
_chemical_formula_sum  'Sr2 F2 Sn Se3'
_chemical_formula_weight  568.806
_symmetry_cell_setting  Orthorhombic
_symmetry_space_group_name_H-M  'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'x+1/2,-y+1/2,-z+1/2'
'-x,y+1/2,-z'
'-x+1/2,-y,z+1/2'
'-x,-y,-z'
'-x+1/2,y+1/2,z+1/2'
'x,-y+1/2,z'
'x+1/2,y,-z+1/2'
_cell_length_a  6.10779(10)
_cell_length_b  19.45339(15)
_cell_length_c  6.10511(11)
_cell_angle_alpha  90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma  90.00000
_cell_volume  725.392(19)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_adp_type
_atom_site_type_symbol
 Sr  0.75509(19) 0.06950(4)  0.5029(2)  0.0083(3)  1.00000  Uiso Sr
 Sn  0.1492(2)  0.25000  0.5764(2)  0.0279(4)  1.00000  Uiso Sn
 Se1  -0.2638(3)  0.25000  1.5024(3)  0.0169(5)  1.00000  Uiso Se
 Se2  0.2525(2)  0.13126(4)  0.4930(2)  0.0127(3)  1.00000  Uiso Se
 F  0.4938(13)  0.0003(4)  0.2542(11)  0.0074(11)  1.00000  Uiso F