The material described by SrVO3Cl crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent Cl(1) atoms. V(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sr(1) and one V(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent V(1) atoms. Cl(1) is bonded to four equivalent Sr(1) atoms to form a mixture of edge and corner-sharing ClSr4 tetrahedra. is represented by the CIF card [CIF]
data_SrVClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.334
_cell_length_b   7.086
_cell_length_c   10.246
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   387.261
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sr  Sr0  1  0.750  0.903  0.811  1.0
  Sr  Sr1  1  0.750  0.597  0.311  1.0
  Sr  Sr2  1  0.250  0.097  0.189  1.0
  Sr  Sr3  1  0.250  0.403  0.689  1.0
  V  V4  1  0.750  0.058  0.462  1.0
  V  V5  1  0.750  0.442  0.962  1.0
  V  V6  1  0.250  0.558  0.038  1.0
  V  V7  1  0.250  0.942  0.538  1.0
  Cl  Cl8  1  0.250  0.433  0.392  1.0
  Cl  Cl9  1  0.250  0.067  0.892  1.0
  Cl  Cl10  1  0.750  0.933  0.108  1.0
  Cl  Cl11  1  0.750  0.567  0.608  1.0
  O  O12  1  0.750  0.261  0.861  1.0
  O  O13  1  0.006  0.904  0.400  1.0
  O  O14  1  0.494  0.904  0.400  1.0
  O  O15  1  0.994  0.096  0.600  1.0
  O  O16  1  0.750  0.239  0.361  1.0
  O  O17  1  0.250  0.739  0.139  1.0
  O  O18  1  0.494  0.596  0.900  1.0
  O  O19  1  0.506  0.096  0.600  1.0
  O  O20  1  0.006  0.596  0.900  1.0
  O  O21  1  0.250  0.761  0.639  1.0
  O  O22  1  0.994  0.404  0.100  1.0
  O  O23  1  0.506  0.404  0.100  1.0
[/CIF]
.
The material described by SrVO3Cl crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent Cl(1) atoms. V(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sr(1) and one V(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent V(1) atoms. Cl(1) is bonded to four equivalent Sr(1) atoms to form a mixture of edge and corner-sharing ClSr4 tetrahedra. is represented by the CIF card [CIF]
data_SrVClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.334
_cell_length_b   7.086
_cell_length_c   10.246
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   387.261
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sr  Sr0  1  0.750  0.903  0.811  1.0
  Sr  Sr1  1  0.750  0.597  0.311  1.0
  Sr  Sr2  1  0.250  0.097  0.189  1.0
  Sr  Sr3  1  0.250  0.403  0.689  1.0
  V  V4  1  0.750  0.058  0.462  1.0
  V  V5  1  0.750  0.442  0.962  1.0
  V  V6  1  0.250  0.558  0.038  1.0
  V  V7  1  0.250  0.942  0.538  1.0
  Cl  Cl8  1  0.250  0.433  0.392  1.0
  Cl  Cl9  1  0.250  0.067  0.892  1.0
  Cl  Cl10  1  0.750  0.933  0.108  1.0
  Cl  Cl11  1  0.750  0.567  0.608  1.0
  O  O12  1  0.750  0.261  0.861  1.0
  O  O13  1  0.006  0.904  0.400  1.0
  O  O14  1  0.494  0.904  0.400  1.0
  O  O15  1  0.994  0.096  0.600  1.0
  O  O16  1  0.750  0.239  0.361  1.0
  O  O17  1  0.250  0.739  0.139  1.0
  O  O18  1  0.494  0.596  0.900  1.0
  O  O19  1  0.506  0.096  0.600  1.0
  O  O20  1  0.006  0.596  0.900  1.0
  O  O21  1  0.250  0.761  0.639  1.0
  O  O22  1  0.994  0.404  0.100  1.0
  O  O23  1  0.506  0.404  0.100  1.0
[/CIF]
.