The material described by LiEuPSe4 crystallizes in the orthorhombic Ama2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent Se(1) and two equivalent Se(3) atoms. Eu(1) is bonded in a 8-coordinate geometry to two equivalent Se(2), two equivalent Se(3), and four equivalent Se(1) atoms. P(1) is bonded in a tetrahedral geometry to one Se(2), one Se(3), and two equivalent Se(1) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Eu(1), and one P(1) atom. In the second Se site, Se(2) is bonded in a distorted T-shaped geometry to two equivalent Eu(1) and one P(1) atom. In the third Se site, Se(3) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Eu(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiEuPSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.283
_cell_length_b   6.283
_cell_length_c   9.713
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   105.646
_symmetry_Int_Tables_number   1
_cell_volume   369.201
_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
  Li  Li0  1  0.632  0.632  0.000  1.0
  Li  Li1  1  0.632  0.632  0.500  1.0
  Eu  Eu2  1  0.107  0.107  0.000  1.0
  Eu  Eu3  1  0.107  0.107  0.500  1.0
  P  P4  1  0.847  0.415  0.250  1.0
  P  P5  1  0.415  0.847  0.750  1.0
  Se  Se6  1  0.680  0.254  0.057  1.0
  Se  Se7  1  0.201  0.402  0.250  1.0
  Se  Se8  1  0.831  0.772  0.250  1.0
  Se  Se9  1  0.680  0.254  0.443  1.0
  Se  Se10  1  0.254  0.680  0.557  1.0
  Se  Se11  1  0.402  0.201  0.750  1.0
  Se  Se12  1  0.772  0.831  0.750  1.0
  Se  Se13  1  0.254  0.680  0.943  1.0
[/CIF]
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The material described by LiEuPSe4 crystallizes in the orthorhombic Ama2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent Se(1) and two equivalent Se(3) atoms. Eu(1) is bonded in a 8-coordinate geometry to two equivalent Se(2), two equivalent Se(3), and four equivalent Se(1) atoms. P(1) is bonded in a tetrahedral geometry to one Se(2), one Se(3), and two equivalent Se(1) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Eu(1), and one P(1) atom. In the second Se site, Se(2) is bonded in a distorted T-shaped geometry to two equivalent Eu(1) and one P(1) atom. In the third Se site, Se(3) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Eu(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiEuPSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.283
_cell_length_b   6.283
_cell_length_c   9.713
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   105.646
_symmetry_Int_Tables_number   1
_cell_volume   369.201
_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
  Li  Li0  1  0.632  0.632  0.000  1.0
  Li  Li1  1  0.632  0.632  0.500  1.0
  Eu  Eu2  1  0.107  0.107  0.000  1.0
  Eu  Eu3  1  0.107  0.107  0.500  1.0
  P  P4  1  0.847  0.415  0.250  1.0
  P  P5  1  0.415  0.847  0.750  1.0
  Se  Se6  1  0.680  0.254  0.057  1.0
  Se  Se7  1  0.201  0.402  0.250  1.0
  Se  Se8  1  0.831  0.772  0.250  1.0
  Se  Se9  1  0.680  0.254  0.443  1.0
  Se  Se10  1  0.254  0.680  0.557  1.0
  Se  Se11  1  0.402  0.201  0.750  1.0
  Se  Se12  1  0.772  0.831  0.750  1.0
  Se  Se13  1  0.254  0.680  0.943  1.0
[/CIF]
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