The compound described by Sr3AlAs3 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent Al(1), two equivalent As(2), and four equivalent As(1) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one Al(1), one As(1), and five equivalent As(2) atoms. Al(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), two equivalent As(1), and two equivalent As(2) atoms to form distorted face-sharing AlSr4As4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Sr(2), four equivalent Sr(1), and two equivalent Al(1) atoms. In the second As site, As(2) is bonded in a 7-coordinate geometry to one Sr(1), five equivalent Sr(2), and one Al(1) atom. is represented by the CIF card [CIF]
data_Sr3AlAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.161
_cell_length_b   10.161
_cell_length_c   12.748
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   142.104
_symmetry_Int_Tables_number   1
_cell_volume   808.438
_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  0.825  0.825  0.349  1.0
  Sr  Sr1  1  0.175  0.175  0.651  1.0
  Sr  Sr2  1  0.675  0.675  0.849  1.0
  Sr  Sr3  1  0.325  0.325  0.151  1.0
  Sr  Sr4  1  0.865  0.511  0.131  1.0
  Sr  Sr5  1  0.489  0.135  0.869  1.0
  Sr  Sr6  1  0.989  0.635  0.631  1.0
  Sr  Sr7  1  0.365  0.011  0.369  1.0
  Sr  Sr8  1  0.135  0.489  0.869  1.0
  Sr  Sr9  1  0.511  0.865  0.131  1.0
  Sr  Sr10  1  0.011  0.365  0.369  1.0
  Sr  Sr11  1  0.635  0.989  0.631  1.0
  Al  Al12  1  0.085  0.915  0.000  1.0
  Al  Al13  1  0.585  0.415  0.500  1.0
  Al  Al14  1  0.915  0.085  0.000  1.0
  Al  Al15  1  0.415  0.585  0.500  1.0
  As  As16  1  0.791  0.791  0.102  1.0
  As  As17  1  0.209  0.209  0.898  1.0
  As  As18  1  0.709  0.709  0.602  1.0
  As  As19  1  0.291  0.291  0.398  1.0
  As  As20  1  0.045  0.362  0.120  1.0
  As  As21  1  0.638  0.955  0.880  1.0
  As  As22  1  0.138  0.455  0.620  1.0
  As  As23  1  0.545  0.862  0.380  1.0
  As  As24  1  0.955  0.638  0.880  1.0
  As  As25  1  0.362  0.045  0.120  1.0
  As  As26  1  0.862  0.545  0.380  1.0
  As  As27  1  0.455  0.138  0.620  1.0
[/CIF]
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The compound described by Sr3AlAs3 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent Al(1), two equivalent As(2), and four equivalent As(1) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one Al(1), one As(1), and five equivalent As(2) atoms. Al(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), two equivalent As(1), and two equivalent As(2) atoms to form distorted face-sharing AlSr4As4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Sr(2), four equivalent Sr(1), and two equivalent Al(1) atoms. In the second As site, As(2) is bonded in a 7-coordinate geometry to one Sr(1), five equivalent Sr(2), and one Al(1) atom. is represented by the CIF card [CIF]
data_Sr3AlAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.161
_cell_length_b   10.161
_cell_length_c   12.748
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   142.104
_symmetry_Int_Tables_number   1
_cell_volume   808.438
_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  0.825  0.825  0.349  1.0
  Sr  Sr1  1  0.175  0.175  0.651  1.0
  Sr  Sr2  1  0.675  0.675  0.849  1.0
  Sr  Sr3  1  0.325  0.325  0.151  1.0
  Sr  Sr4  1  0.865  0.511  0.131  1.0
  Sr  Sr5  1  0.489  0.135  0.869  1.0
  Sr  Sr6  1  0.989  0.635  0.631  1.0
  Sr  Sr7  1  0.365  0.011  0.369  1.0
  Sr  Sr8  1  0.135  0.489  0.869  1.0
  Sr  Sr9  1  0.511  0.865  0.131  1.0
  Sr  Sr10  1  0.011  0.365  0.369  1.0
  Sr  Sr11  1  0.635  0.989  0.631  1.0
  Al  Al12  1  0.085  0.915  0.000  1.0
  Al  Al13  1  0.585  0.415  0.500  1.0
  Al  Al14  1  0.915  0.085  0.000  1.0
  Al  Al15  1  0.415  0.585  0.500  1.0
  As  As16  1  0.791  0.791  0.102  1.0
  As  As17  1  0.209  0.209  0.898  1.0
  As  As18  1  0.709  0.709  0.602  1.0
  As  As19  1  0.291  0.291  0.398  1.0
  As  As20  1  0.045  0.362  0.120  1.0
  As  As21  1  0.638  0.955  0.880  1.0
  As  As22  1  0.138  0.455  0.620  1.0
  As  As23  1  0.545  0.862  0.380  1.0
  As  As24  1  0.955  0.638  0.880  1.0
  As  As25  1  0.362  0.045  0.120  1.0
  As  As26  1  0.862  0.545  0.380  1.0
  As  As27  1  0.455  0.138  0.620  1.0
[/CIF]
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