The structure described by Sr3TaAs3O crystallizes in the orthorhombic Pnma space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one As(1), four equivalent As(2), and one O(1) atom. In the second Sr site, Sr(2) is bonded to two equivalent As(2), three equivalent As(1), and one O(1) atom to form distorted SrAs5O octahedra that share corners with two equivalent Sr(2)As5O octahedra, corners with four equivalent Ta(1)As3O tetrahedra, edges with two equivalent Sr(2)As5O octahedra, and  an edgeedge with one Ta(1)As3O tetrahedra. The corner-sharing octahedral tilt angles are 4°. Ta(1) is bonded to one As(1), two equivalent As(2), and one O(1) atom to form distorted TaAs3O tetrahedra that share corners with four equivalent Sr(2)As5O octahedra and  an edgeedge with one Sr(2)As5O octahedra. The corner-sharing octahedral tilt angles range from 12-80°. There are two inequivalent As sites. In the first As site, As(1) is bonded to two equivalent Sr(1), three equivalent Sr(2), and one Ta(1) atom to form AsSr5Ta octahedra that share corners with two equivalent As(1)Sr5Ta octahedra, corners with four equivalent O(1)Sr3Ta tetrahedra, edges with two equivalent As(1)Sr5Ta octahedra, edges with eight equivalent As(2)Sr5Ta octahedra, and  an edgeedge with one O(1)Sr3Ta tetrahedra. The corner-sharing octahedral tilt angles are 4°. In the second As site, As(2) is bonded to one Sr(2), four equivalent Sr(1), and one Ta(1) atom to form distorted AsSr5Ta octahedra that share corners with six equivalent As(2)Sr5Ta octahedra, corners with two equivalent O(1)Sr3Ta tetrahedra, edges with four equivalent As(1)Sr5Ta octahedra, edges with four equivalent As(2)Sr5Ta octahedra, and edges with two equivalent O(1)Sr3Ta tetrahedra. The corner-sharing octahedral tilt angles range from 3-58°. O(1) is bonded to one Sr(2), two equivalent Sr(1), and one Ta(1) atom to form OSr3Ta tetrahedra that share corners with four equivalent As(1)Sr5Ta octahedra, corners with four equivalent As(2)Sr5Ta octahedra,  an edgeedge with one As(1)Sr5Ta octahedra, and edges with four equivalent As(2)Sr5Ta octahedra. The corner-sharing octahedral tilt angles range from 20-75°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3TaAs3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.454
_cell_length_b   10.784
_cell_length_c   13.080
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   910.342
_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  0.246  0.043  0.628  1.0
  Sr  Sr1  1  0.746  0.457  0.872  1.0
  Sr  Sr2  1  0.754  0.543  0.372  1.0
  Sr  Sr3  1  0.254  0.957  0.128  1.0
  Sr  Sr4  1  0.246  0.457  0.628  1.0
  Sr  Sr5  1  0.754  0.957  0.372  1.0
  Sr  Sr6  1  0.768  0.250  0.129  1.0
  Sr  Sr7  1  0.268  0.250  0.371  1.0
  Sr  Sr8  1  0.232  0.750  0.871  1.0
  Sr  Sr9  1  0.732  0.750  0.629  1.0
  Sr  Sr10  1  0.254  0.543  0.128  1.0
  Sr  Sr11  1  0.746  0.043  0.872  1.0
  Ta  Ta12  1  0.342  0.250  0.952  1.0
  Ta  Ta13  1  0.842  0.250  0.548  1.0
  Ta  Ta14  1  0.658  0.750  0.048  1.0
  Ta  Ta15  1  0.158  0.750  0.452  1.0
  As  As16  1  0.236  0.750  0.636  1.0
  As  As17  1  0.736  0.750  0.864  1.0
  As  As18  1  0.764  0.250  0.364  1.0
  As  As19  1  0.264  0.250  0.136  1.0
  As  As20  1  0.237  0.452  0.876  1.0
  As  As21  1  0.737  0.048  0.624  1.0
  As  As22  1  0.237  0.048  0.876  1.0
  As  As23  1  0.737  0.452  0.624  1.0
  As  As24  1  0.763  0.548  0.124  1.0
  As  As25  1  0.263  0.548  0.376  1.0
  As  As26  1  0.263  0.952  0.376  1.0
  As  As27  1  0.763  0.952  0.124  1.0
  O  O28  1  0.635  0.250  0.945  1.0
  O  O29  1  0.135  0.250  0.555  1.0
  O  O30  1  0.365  0.750  0.055  1.0
  O  O31  1  0.865  0.750  0.445  1.0
[/CIF]
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The structure described by Sr3TaAs3O crystallizes in the orthorhombic Pnma space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one As(1), four equivalent As(2), and one O(1) atom. In the second Sr site, Sr(2) is bonded to two equivalent As(2), three equivalent As(1), and one O(1) atom to form distorted SrAs5O octahedra that share corners with two equivalent Sr(2)As5O octahedra, corners with four equivalent Ta(1)As3O tetrahedra, edges with two equivalent Sr(2)As5O octahedra, and  an edgeedge with one Ta(1)As3O tetrahedra. The corner-sharing octahedral tilt angles are 4°. Ta(1) is bonded to one As(1), two equivalent As(2), and one O(1) atom to form distorted TaAs3O tetrahedra that share corners with four equivalent Sr(2)As5O octahedra and  an edgeedge with one Sr(2)As5O octahedra. The corner-sharing octahedral tilt angles range from 12-80°. There are two inequivalent As sites. In the first As site, As(1) is bonded to two equivalent Sr(1), three equivalent Sr(2), and one Ta(1) atom to form AsSr5Ta octahedra that share corners with two equivalent As(1)Sr5Ta octahedra, corners with four equivalent O(1)Sr3Ta tetrahedra, edges with two equivalent As(1)Sr5Ta octahedra, edges with eight equivalent As(2)Sr5Ta octahedra, and  an edgeedge with one O(1)Sr3Ta tetrahedra. The corner-sharing octahedral tilt angles are 4°. In the second As site, As(2) is bonded to one Sr(2), four equivalent Sr(1), and one Ta(1) atom to form distorted AsSr5Ta octahedra that share corners with six equivalent As(2)Sr5Ta octahedra, corners with two equivalent O(1)Sr3Ta tetrahedra, edges with four equivalent As(1)Sr5Ta octahedra, edges with four equivalent As(2)Sr5Ta octahedra, and edges with two equivalent O(1)Sr3Ta tetrahedra. The corner-sharing octahedral tilt angles range from 3-58°. O(1) is bonded to one Sr(2), two equivalent Sr(1), and one Ta(1) atom to form OSr3Ta tetrahedra that share corners with four equivalent As(1)Sr5Ta octahedra, corners with four equivalent As(2)Sr5Ta octahedra,  an edgeedge with one As(1)Sr5Ta octahedra, and edges with four equivalent As(2)Sr5Ta octahedra. The corner-sharing octahedral tilt angles range from 20-75°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3TaAs3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.454
_cell_length_b   10.784
_cell_length_c   13.080
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   910.342
_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  0.246  0.043  0.628  1.0
  Sr  Sr1  1  0.746  0.457  0.872  1.0
  Sr  Sr2  1  0.754  0.543  0.372  1.0
  Sr  Sr3  1  0.254  0.957  0.128  1.0
  Sr  Sr4  1  0.246  0.457  0.628  1.0
  Sr  Sr5  1  0.754  0.957  0.372  1.0
  Sr  Sr6  1  0.768  0.250  0.129  1.0
  Sr  Sr7  1  0.268  0.250  0.371  1.0
  Sr  Sr8  1  0.232  0.750  0.871  1.0
  Sr  Sr9  1  0.732  0.750  0.629  1.0
  Sr  Sr10  1  0.254  0.543  0.128  1.0
  Sr  Sr11  1  0.746  0.043  0.872  1.0
  Ta  Ta12  1  0.342  0.250  0.952  1.0
  Ta  Ta13  1  0.842  0.250  0.548  1.0
  Ta  Ta14  1  0.658  0.750  0.048  1.0
  Ta  Ta15  1  0.158  0.750  0.452  1.0
  As  As16  1  0.236  0.750  0.636  1.0
  As  As17  1  0.736  0.750  0.864  1.0
  As  As18  1  0.764  0.250  0.364  1.0
  As  As19  1  0.264  0.250  0.136  1.0
  As  As20  1  0.237  0.452  0.876  1.0
  As  As21  1  0.737  0.048  0.624  1.0
  As  As22  1  0.237  0.048  0.876  1.0
  As  As23  1  0.737  0.452  0.624  1.0
  As  As24  1  0.763  0.548  0.124  1.0
  As  As25  1  0.263  0.548  0.376  1.0
  As  As26  1  0.263  0.952  0.376  1.0
  As  As27  1  0.763  0.952  0.124  1.0
  O  O28  1  0.635  0.250  0.945  1.0
  O  O29  1  0.135  0.250  0.555  1.0
  O  O30  1  0.365  0.750  0.055  1.0
  O  O31  1  0.865  0.750  0.445  1.0
[/CIF]
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