The crystal structure described by K3In2As3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Cmce space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one In(1), one In(2), one As(2), and four equivalent As(1) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to two equivalent In(2), two equivalent As(1), and three equivalent As(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 6-coordinate geometry to two equivalent K(1) and four equivalent As(1) atoms. In the second In site, In(2) is bonded in a 4-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent As(1), and two equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to one K(2), four equivalent K(1), one In(2), and two equivalent In(1) atoms. In the second As site, As(2) is bonded in a 7-coordinate geometry to two equivalent K(1), three equivalent K(2), and two equivalent In(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3In2As3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.512
_cell_length_b   10.512
_cell_length_c   14.884
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   142.134
_symmetry_Int_Tables_number   1
_cell_volume   1009.512
_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
  K  K0  1  0.613  0.929  0.676  1.0
  K  K1  1  0.571  0.887  0.176  1.0
  K  K2  1  0.071  0.387  0.324  1.0
  K  K3  1  0.113  0.429  0.824  1.0
  K  K4  1  0.652  0.652  0.862  1.0
  K  K5  1  0.429  0.113  0.824  1.0
  K  K6  1  0.348  0.348  0.138  1.0
  K  K7  1  0.929  0.613  0.676  1.0
  K  K8  1  0.152  0.152  0.638  1.0
  K  K9  1  0.887  0.571  0.176  1.0
  K  K10  1  0.848  0.848  0.362  1.0
  K  K11  1  0.387  0.071  0.324  1.0
  In  In12  1  0.239  0.761  0.500  1.0
  In  In13  1  0.261  0.739  0.000  1.0
  In  In14  1  0.739  0.261  0.000  1.0
  In  In15  1  0.917  0.083  0.000  1.0
  In  In16  1  0.761  0.239  0.500  1.0
  In  In17  1  0.083  0.917  0.000  1.0
  In  In18  1  0.417  0.583  0.500  1.0
  In  In19  1  0.583  0.417  0.500  1.0
  As  As20  1  0.051  0.400  0.098  1.0
  As  As21  1  0.662  0.662  0.618  1.0
  As  As22  1  0.400  0.051  0.098  1.0
  As  As23  1  0.600  0.949  0.902  1.0
  As  As24  1  0.949  0.600  0.902  1.0
  As  As25  1  0.449  0.100  0.598  1.0
  As  As26  1  0.551  0.900  0.402  1.0
  As  As27  1  0.162  0.162  0.882  1.0
  As  As28  1  0.100  0.449  0.598  1.0
  As  As29  1  0.838  0.838  0.118  1.0
  As  As30  1  0.338  0.338  0.382  1.0
  As  As31  1  0.900  0.551  0.402  1.0
[/CIF]
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The crystal structure described by K3In2As3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Cmce space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one In(1), one In(2), one As(2), and four equivalent As(1) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to two equivalent In(2), two equivalent As(1), and three equivalent As(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 6-coordinate geometry to two equivalent K(1) and four equivalent As(1) atoms. In the second In site, In(2) is bonded in a 4-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent As(1), and two equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to one K(2), four equivalent K(1), one In(2), and two equivalent In(1) atoms. In the second As site, As(2) is bonded in a 7-coordinate geometry to two equivalent K(1), three equivalent K(2), and two equivalent In(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3In2As3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.512
_cell_length_b   10.512
_cell_length_c   14.884
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   142.134
_symmetry_Int_Tables_number   1
_cell_volume   1009.512
_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
  K  K0  1  0.613  0.929  0.676  1.0
  K  K1  1  0.571  0.887  0.176  1.0
  K  K2  1  0.071  0.387  0.324  1.0
  K  K3  1  0.113  0.429  0.824  1.0
  K  K4  1  0.652  0.652  0.862  1.0
  K  K5  1  0.429  0.113  0.824  1.0
  K  K6  1  0.348  0.348  0.138  1.0
  K  K7  1  0.929  0.613  0.676  1.0
  K  K8  1  0.152  0.152  0.638  1.0
  K  K9  1  0.887  0.571  0.176  1.0
  K  K10  1  0.848  0.848  0.362  1.0
  K  K11  1  0.387  0.071  0.324  1.0
  In  In12  1  0.239  0.761  0.500  1.0
  In  In13  1  0.261  0.739  0.000  1.0
  In  In14  1  0.739  0.261  0.000  1.0
  In  In15  1  0.917  0.083  0.000  1.0
  In  In16  1  0.761  0.239  0.500  1.0
  In  In17  1  0.083  0.917  0.000  1.0
  In  In18  1  0.417  0.583  0.500  1.0
  In  In19  1  0.583  0.417  0.500  1.0
  As  As20  1  0.051  0.400  0.098  1.0
  As  As21  1  0.662  0.662  0.618  1.0
  As  As22  1  0.400  0.051  0.098  1.0
  As  As23  1  0.600  0.949  0.902  1.0
  As  As24  1  0.949  0.600  0.902  1.0
  As  As25  1  0.449  0.100  0.598  1.0
  As  As26  1  0.551  0.900  0.402  1.0
  As  As27  1  0.162  0.162  0.882  1.0
  As  As28  1  0.100  0.449  0.598  1.0
  As  As29  1  0.838  0.838  0.118  1.0
  As  As30  1  0.338  0.338  0.382  1.0
  As  As31  1  0.900  0.551  0.402  1.0
[/CIF]
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