The compound described by Cs6InAs3 is alpha Pu-derived structured and crystallizes in the monoclinic P2_1/m space group. There are six inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to one As(1) and three equivalent As(3) atoms. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to one As(2) and two equivalent As(3) atoms. In the third Cs site, Cs(3) is bonded in a 4-coordinate geometry to one As(3) and three equivalent As(2) atoms. In the fourth Cs site, Cs(4) is bonded to one As(3) and three equivalent As(1) atoms to form a mixture of distorted edge and corner-sharing CsAs4 tetrahedra. In the fifth Cs site, Cs(5) is bonded in a 7-coordinate geometry to two equivalent In(1), two equivalent As(1), and three equivalent As(2) atoms. In the sixth Cs site, Cs(6) is bonded in a 4-coordinate geometry to one As(1) and three equivalent As(2) atoms. In(1) is bonded in a distorted trigonal planar geometry to two equivalent Cs(5), one As(1), one As(2), and one As(3) atom. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(6), two equivalent Cs(5), three equivalent Cs(4), and one In(1) atom. In the second As site, As(2) is bonded in a 11-coordinate geometry to one Cs(2), three equivalent Cs(3), three equivalent Cs(5), three equivalent Cs(6), and one In(1) atom. In the third As site, As(3) is bonded in a 1-coordinate geometry to one Cs(3), one Cs(4), two equivalent Cs(2), three equivalent Cs(1), and one In(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs6InAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.389
_cell_length_b   10.607
_cell_length_c   12.322
_cell_angle_alpha   78.642
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   818.662
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.750  0.463  0.074  1.0
  Cs  Cs1  1  0.250  0.537  0.926  1.0
  Cs  Cs2  1  0.750  0.747  0.223  1.0
  Cs  Cs3  1  0.250  0.253  0.777  1.0
  Cs  Cs4  1  0.250  0.562  0.539  1.0
  Cs  Cs5  1  0.750  0.438  0.461  1.0
  Cs  Cs6  1  0.250  0.868  0.018  1.0
  Cs  Cs7  1  0.750  0.132  0.982  1.0
  Cs  Cs8  1  0.250  0.883  0.675  1.0
  Cs  Cs9  1  0.750  0.117  0.325  1.0
  Cs  Cs10  1  0.250  0.913  0.364  1.0
  Cs  Cs11  1  0.750  0.087  0.636  1.0
  In  In12  1  0.250  0.327  0.277  1.0
  In  In13  1  0.750  0.673  0.723  1.0
  As  As14  1  0.250  0.187  0.121  1.0
  As  As15  1  0.750  0.813  0.879  1.0
  As  As16  1  0.250  0.211  0.486  1.0
  As  As17  1  0.750  0.789  0.514  1.0
  As  As18  1  0.250  0.577  0.227  1.0
  As  As19  1  0.750  0.423  0.773  1.0
[/CIF]
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The compound described by Cs6InAs3 is alpha Pu-derived structured and crystallizes in the monoclinic P2_1/m space group. There are six inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to one As(1) and three equivalent As(3) atoms. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to one As(2) and two equivalent As(3) atoms. In the third Cs site, Cs(3) is bonded in a 4-coordinate geometry to one As(3) and three equivalent As(2) atoms. In the fourth Cs site, Cs(4) is bonded to one As(3) and three equivalent As(1) atoms to form a mixture of distorted edge and corner-sharing CsAs4 tetrahedra. In the fifth Cs site, Cs(5) is bonded in a 7-coordinate geometry to two equivalent In(1), two equivalent As(1), and three equivalent As(2) atoms. In the sixth Cs site, Cs(6) is bonded in a 4-coordinate geometry to one As(1) and three equivalent As(2) atoms. In(1) is bonded in a distorted trigonal planar geometry to two equivalent Cs(5), one As(1), one As(2), and one As(3) atom. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(6), two equivalent Cs(5), three equivalent Cs(4), and one In(1) atom. In the second As site, As(2) is bonded in a 11-coordinate geometry to one Cs(2), three equivalent Cs(3), three equivalent Cs(5), three equivalent Cs(6), and one In(1) atom. In the third As site, As(3) is bonded in a 1-coordinate geometry to one Cs(3), one Cs(4), two equivalent Cs(2), three equivalent Cs(1), and one In(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs6InAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.389
_cell_length_b   10.607
_cell_length_c   12.322
_cell_angle_alpha   78.642
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   818.662
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.750  0.463  0.074  1.0
  Cs  Cs1  1  0.250  0.537  0.926  1.0
  Cs  Cs2  1  0.750  0.747  0.223  1.0
  Cs  Cs3  1  0.250  0.253  0.777  1.0
  Cs  Cs4  1  0.250  0.562  0.539  1.0
  Cs  Cs5  1  0.750  0.438  0.461  1.0
  Cs  Cs6  1  0.250  0.868  0.018  1.0
  Cs  Cs7  1  0.750  0.132  0.982  1.0
  Cs  Cs8  1  0.250  0.883  0.675  1.0
  Cs  Cs9  1  0.750  0.117  0.325  1.0
  Cs  Cs10  1  0.250  0.913  0.364  1.0
  Cs  Cs11  1  0.750  0.087  0.636  1.0
  In  In12  1  0.250  0.327  0.277  1.0
  In  In13  1  0.750  0.673  0.723  1.0
  As  As14  1  0.250  0.187  0.121  1.0
  As  As15  1  0.750  0.813  0.879  1.0
  As  As16  1  0.250  0.211  0.486  1.0
  As  As17  1  0.750  0.789  0.514  1.0
  As  As18  1  0.250  0.577  0.227  1.0
  As  As19  1  0.750  0.423  0.773  1.0
[/CIF]
.