The compound described by K4Ba2SnP4 crystallizes in the monoclinic Cc space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Sn(1), one P(1), one P(2), one P(3), and two equivalent P(4) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to one P(1), one P(4), and two equivalent P(3) atoms. In the third K site, K(3) is bonded in a 4-coordinate geometry to one P(1), one P(4), and two equivalent P(2) atoms. In the fourth K site, K(4) is bonded in a 4-coordinate geometry to one P(1), one P(2), one P(3), and one P(4) atom. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one P(1), one P(2), one P(3), and two equivalent P(4) atoms. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(2), and two equivalent P(3) atoms. Sn(1) is bonded in a distorted tetrahedral geometry to one K(1), one P(1), one P(2), one P(3), and one P(4) atom. There are four inequivalent P sites. In the first P site, P(4) is bonded in a 8-coordinate geometry to one K(2), one K(3), one K(4), two equivalent K(1), two equivalent Ba(1), and one Sn(1) atom. In the second P site, P(1) is bonded in a 7-coordinate geometry to one K(1), one K(2), one K(3), one K(4), one Ba(1), one Ba(2), and one Sn(1) atom. In the third P site, P(2) is bonded in a 8-coordinate geometry to one K(1), one K(4), two equivalent K(3), one Ba(1), two equivalent Ba(2), and one Sn(1) atom. In the fourth P site, P(3) is bonded in a 8-coordinate geometry to one K(1), one K(4), two equivalent K(2), one Ba(1), two equivalent Ba(2), and one Sn(1) atom. is represented by the CIF card [CIF]
data_K4Ba2SnP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.396
_cell_length_b   10.396
_cell_length_c   7.890
_cell_angle_alpha   89.255
_cell_angle_beta   89.255
_cell_angle_gamma   119.597
_symmetry_Int_Tables_number   1
_cell_volume   741.302
_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
  K  K0  1  0.053  0.526  0.617  1.0
  K  K1  1  0.526  0.053  0.117  1.0
  K  K2  1  0.278  0.138  0.808  1.0
  K  K3  1  0.865  0.718  0.784  1.0
  K  K4  1  0.862  0.148  0.796  1.0
  K  K5  1  0.718  0.865  0.284  1.0
  K  K6  1  0.138  0.278  0.308  1.0
  K  K7  1  0.148  0.862  0.296  1.0
  Ba  Ba8  1  0.469  0.943  0.617  1.0
  Ba  Ba9  1  0.467  0.523  0.619  1.0
  Ba  Ba10  1  0.943  0.469  0.117  1.0
  Ba  Ba11  1  0.523  0.467  0.119  1.0
  Sn  Sn12  1  0.671  0.337  0.503  1.0
  Sn  Sn13  1  0.337  0.671  0.003  1.0
  P  P14  1  0.665  0.341  0.832  1.0
  P  P15  1  0.341  0.665  0.332  1.0
  P  P16  1  0.605  0.798  0.883  1.0
  P  P17  1  0.201  0.396  0.911  1.0
  P  P18  1  0.196  0.800  0.899  1.0
  P  P19  1  0.396  0.201  0.411  1.0
  P  P20  1  0.798  0.605  0.383  1.0
  P  P21  1  0.800  0.196  0.399  1.0
[/CIF]
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The compound described by K4Ba2SnP4 crystallizes in the monoclinic Cc space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Sn(1), one P(1), one P(2), one P(3), and two equivalent P(4) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to one P(1), one P(4), and two equivalent P(3) atoms. In the third K site, K(3) is bonded in a 4-coordinate geometry to one P(1), one P(4), and two equivalent P(2) atoms. In the fourth K site, K(4) is bonded in a 4-coordinate geometry to one P(1), one P(2), one P(3), and one P(4) atom. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one P(1), one P(2), one P(3), and two equivalent P(4) atoms. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(2), and two equivalent P(3) atoms. Sn(1) is bonded in a distorted tetrahedral geometry to one K(1), one P(1), one P(2), one P(3), and one P(4) atom. There are four inequivalent P sites. In the first P site, P(4) is bonded in a 8-coordinate geometry to one K(2), one K(3), one K(4), two equivalent K(1), two equivalent Ba(1), and one Sn(1) atom. In the second P site, P(1) is bonded in a 7-coordinate geometry to one K(1), one K(2), one K(3), one K(4), one Ba(1), one Ba(2), and one Sn(1) atom. In the third P site, P(2) is bonded in a 8-coordinate geometry to one K(1), one K(4), two equivalent K(3), one Ba(1), two equivalent Ba(2), and one Sn(1) atom. In the fourth P site, P(3) is bonded in a 8-coordinate geometry to one K(1), one K(4), two equivalent K(2), one Ba(1), two equivalent Ba(2), and one Sn(1) atom. is represented by the CIF card [CIF]
data_K4Ba2SnP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.396
_cell_length_b   10.396
_cell_length_c   7.890
_cell_angle_alpha   89.255
_cell_angle_beta   89.255
_cell_angle_gamma   119.597
_symmetry_Int_Tables_number   1
_cell_volume   741.302
_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
  K  K0  1  0.053  0.526  0.617  1.0
  K  K1  1  0.526  0.053  0.117  1.0
  K  K2  1  0.278  0.138  0.808  1.0
  K  K3  1  0.865  0.718  0.784  1.0
  K  K4  1  0.862  0.148  0.796  1.0
  K  K5  1  0.718  0.865  0.284  1.0
  K  K6  1  0.138  0.278  0.308  1.0
  K  K7  1  0.148  0.862  0.296  1.0
  Ba  Ba8  1  0.469  0.943  0.617  1.0
  Ba  Ba9  1  0.467  0.523  0.619  1.0
  Ba  Ba10  1  0.943  0.469  0.117  1.0
  Ba  Ba11  1  0.523  0.467  0.119  1.0
  Sn  Sn12  1  0.671  0.337  0.503  1.0
  Sn  Sn13  1  0.337  0.671  0.003  1.0
  P  P14  1  0.665  0.341  0.832  1.0
  P  P15  1  0.341  0.665  0.332  1.0
  P  P16  1  0.605  0.798  0.883  1.0
  P  P17  1  0.201  0.396  0.911  1.0
  P  P18  1  0.196  0.800  0.899  1.0
  P  P19  1  0.396  0.201  0.411  1.0
  P  P20  1  0.798  0.605  0.383  1.0
  P  P21  1  0.800  0.196  0.399  1.0
[/CIF]
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