The structure described by Li7MnAs4 crystallizes in the tetragonal P4_2/nmc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a linear geometry to two equivalent As(1) atoms. In the second Li site, Li(2) is bonded to four equivalent As(1) atoms to form distorted LiAs4 tetrahedra that share corners with two equivalent Li(3)As4 tetrahedra, corners with two equivalent Mn(1)As4 tetrahedra, corners with eight equivalent Li(2)As4 tetrahedra,  an edgeedge with one Li(3)As4 tetrahedra,  an edgeedge with one Mn(1)As4 tetrahedra, and edges with two equivalent Li(2)As4 tetrahedra. In the third Li site, Li(3) is bonded to four equivalent As(1) atoms to form distorted LiAs4 tetrahedra that share corners with eight equivalent Li(2)As4 tetrahedra, edges with two equivalent Mn(1)As4 tetrahedra, and edges with four equivalent Li(2)As4 tetrahedra. Mn(1) is bonded to four equivalent As(1) atoms to form MnAs4 tetrahedra that share corners with eight equivalent Li(2)As4 tetrahedra, edges with two equivalent Li(3)As4 tetrahedra, and edges with four equivalent Li(2)As4 tetrahedra. As(1) is bonded to one Li(1), one Li(3), four equivalent Li(2), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing AsLi6Mn hexagonal pyramids. is represented by the CIF card [CIF]
data_Li7MnAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.036
_cell_length_b   12.141
_cell_length_c   8.585
_cell_angle_alpha   45.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   444.907
_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  0.996  0.000  0.000  1.0
  Li  Li1  1  0.004  0.500  0.000  1.0
  Li  Li2  1  0.250  0.245  0.500  1.0
  Li  Li3  1  0.250  0.755  0.500  1.0
  Li  Li4  1  0.250  0.000  0.500  1.0
  Li  Li5  1  0.250  0.245  0.010  1.0
  Li  Li6  1  0.250  0.755  0.990  1.0
  Li  Li7  1  0.496  0.000  0.000  1.0
  Li  Li8  1  0.504  0.500  0.000  1.0
  Li  Li9  1  0.750  0.255  0.990  1.0
  Li  Li10  1  0.750  0.500  0.500  1.0
  Li  Li11  1  0.750  0.745  0.010  1.0
  Li  Li12  1  0.750  0.255  0.500  1.0
  Li  Li13  1  0.750  0.745  0.500  1.0
  Mn  Mn14  1  0.250  0.500  0.500  1.0
  Mn  Mn15  1  0.750  0.000  0.500  1.0
  As  As16  1  0.008  0.500  0.272  1.0
  As  As17  1  0.992  0.000  0.728  1.0
  As  As18  1  0.508  0.228  0.272  1.0
  As  As19  1  0.492  0.272  0.728  1.0
  As  As20  1  0.492  0.728  0.272  1.0
  As  As21  1  0.508  0.772  0.728  1.0
  As  As22  1  0.008  0.500  0.728  1.0
  As  As23  1  0.992  0.000  0.272  1.0
[/CIF]
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The structure described by Li7MnAs4 crystallizes in the tetragonal P4_2/nmc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a linear geometry to two equivalent As(1) atoms. In the second Li site, Li(2) is bonded to four equivalent As(1) atoms to form distorted LiAs4 tetrahedra that share corners with two equivalent Li(3)As4 tetrahedra, corners with two equivalent Mn(1)As4 tetrahedra, corners with eight equivalent Li(2)As4 tetrahedra,  an edgeedge with one Li(3)As4 tetrahedra,  an edgeedge with one Mn(1)As4 tetrahedra, and edges with two equivalent Li(2)As4 tetrahedra. In the third Li site, Li(3) is bonded to four equivalent As(1) atoms to form distorted LiAs4 tetrahedra that share corners with eight equivalent Li(2)As4 tetrahedra, edges with two equivalent Mn(1)As4 tetrahedra, and edges with four equivalent Li(2)As4 tetrahedra. Mn(1) is bonded to four equivalent As(1) atoms to form MnAs4 tetrahedra that share corners with eight equivalent Li(2)As4 tetrahedra, edges with two equivalent Li(3)As4 tetrahedra, and edges with four equivalent Li(2)As4 tetrahedra. As(1) is bonded to one Li(1), one Li(3), four equivalent Li(2), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing AsLi6Mn hexagonal pyramids. is represented by the CIF card [CIF]
data_Li7MnAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.036
_cell_length_b   12.141
_cell_length_c   8.585
_cell_angle_alpha   45.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   444.907
_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  0.996  0.000  0.000  1.0
  Li  Li1  1  0.004  0.500  0.000  1.0
  Li  Li2  1  0.250  0.245  0.500  1.0
  Li  Li3  1  0.250  0.755  0.500  1.0
  Li  Li4  1  0.250  0.000  0.500  1.0
  Li  Li5  1  0.250  0.245  0.010  1.0
  Li  Li6  1  0.250  0.755  0.990  1.0
  Li  Li7  1  0.496  0.000  0.000  1.0
  Li  Li8  1  0.504  0.500  0.000  1.0
  Li  Li9  1  0.750  0.255  0.990  1.0
  Li  Li10  1  0.750  0.500  0.500  1.0
  Li  Li11  1  0.750  0.745  0.010  1.0
  Li  Li12  1  0.750  0.255  0.500  1.0
  Li  Li13  1  0.750  0.745  0.500  1.0
  Mn  Mn14  1  0.250  0.500  0.500  1.0
  Mn  Mn15  1  0.750  0.000  0.500  1.0
  As  As16  1  0.008  0.500  0.272  1.0
  As  As17  1  0.992  0.000  0.728  1.0
  As  As18  1  0.508  0.228  0.272  1.0
  As  As19  1  0.492  0.272  0.728  1.0
  As  As20  1  0.492  0.728  0.272  1.0
  As  As21  1  0.508  0.772  0.728  1.0
  As  As22  1  0.008  0.500  0.728  1.0
  As  As23  1  0.992  0.000  0.272  1.0
[/CIF]
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