The material described by MnAg2SnSe4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. Mn(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form MnSe4 tetrahedra that share corners with four equivalent Sn(1)Se4 tetrahedra and corners with eight equivalent Ag(1)Se4 tetrahedra. Ag(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form AgSe4 tetrahedra that share corners with four equivalent Mn(1)Se4 tetrahedra, corners with four equivalent Ag(1)Se4 tetrahedra, and corners with four equivalent Sn(1)Se4 tetrahedra. Sn(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form SnSe4 tetrahedra that share corners with four equivalent Mn(1)Se4 tetrahedra and corners with eight equivalent Ag(1)Se4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to one Mn(1), two equivalent Ag(1), and one Sn(1) atom to form corner-sharing SeMnAg2Sn tetrahedra. In the second Se site, Se(2) is bonded to one Mn(1), two equivalent Ag(1), and one Sn(1) atom to form corner-sharing SeMnAg2Sn tetrahedra. In the third Se site, Se(3) is bonded to one Mn(1), two equivalent Ag(1), and one Sn(1) atom to form corner-sharing SeMnAg2Sn tetrahedra. is represented by the CIF file [CIF]
data_MnAg2SnSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.065
_cell_length_b   7.487
_cell_length_c   8.393
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   443.919
_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
  Mn  Mn0  1  0.504  0.344  0.000  1.0
  Mn  Mn1  1  0.004  0.656  0.500  1.0
  Ag  Ag2  1  0.516  0.826  0.249  1.0
  Ag  Ag3  1  0.016  0.174  0.251  1.0
  Ag  Ag4  1  0.016  0.174  0.749  1.0
  Ag  Ag5  1  0.516  0.826  0.751  1.0
  Sn  Sn6  1  0.001  0.662  0.000  1.0
  Sn  Sn7  1  0.501  0.338  0.500  1.0
  Se  Se8  1  0.862  0.342  0.000  1.0
  Se  Se9  1  0.362  0.658  0.500  1.0
  Se  Se10  1  0.892  0.833  0.255  1.0
  Se  Se11  1  0.392  0.167  0.245  1.0
  Se  Se12  1  0.392  0.167  0.755  1.0
  Se  Se13  1  0.892  0.833  0.745  1.0
  Se  Se14  1  0.369  0.655  0.000  1.0
  Se  Se15  1  0.869  0.345  0.500  1.0
[/CIF]
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The material described by MnAg2SnSe4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. Mn(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form MnSe4 tetrahedra that share corners with four equivalent Sn(1)Se4 tetrahedra and corners with eight equivalent Ag(1)Se4 tetrahedra. Ag(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form AgSe4 tetrahedra that share corners with four equivalent Mn(1)Se4 tetrahedra, corners with four equivalent Ag(1)Se4 tetrahedra, and corners with four equivalent Sn(1)Se4 tetrahedra. Sn(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form SnSe4 tetrahedra that share corners with four equivalent Mn(1)Se4 tetrahedra and corners with eight equivalent Ag(1)Se4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to one Mn(1), two equivalent Ag(1), and one Sn(1) atom to form corner-sharing SeMnAg2Sn tetrahedra. In the second Se site, Se(2) is bonded to one Mn(1), two equivalent Ag(1), and one Sn(1) atom to form corner-sharing SeMnAg2Sn tetrahedra. In the third Se site, Se(3) is bonded to one Mn(1), two equivalent Ag(1), and one Sn(1) atom to form corner-sharing SeMnAg2Sn tetrahedra. is represented by the CIF file [CIF]
data_MnAg2SnSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.065
_cell_length_b   7.487
_cell_length_c   8.393
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   443.919
_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
  Mn  Mn0  1  0.504  0.344  0.000  1.0
  Mn  Mn1  1  0.004  0.656  0.500  1.0
  Ag  Ag2  1  0.516  0.826  0.249  1.0
  Ag  Ag3  1  0.016  0.174  0.251  1.0
  Ag  Ag4  1  0.016  0.174  0.749  1.0
  Ag  Ag5  1  0.516  0.826  0.751  1.0
  Sn  Sn6  1  0.001  0.662  0.000  1.0
  Sn  Sn7  1  0.501  0.338  0.500  1.0
  Se  Se8  1  0.862  0.342  0.000  1.0
  Se  Se9  1  0.362  0.658  0.500  1.0
  Se  Se10  1  0.892  0.833  0.255  1.0
  Se  Se11  1  0.392  0.167  0.245  1.0
  Se  Se12  1  0.392  0.167  0.755  1.0
  Se  Se13  1  0.892  0.833  0.745  1.0
  Se  Se14  1  0.369  0.655  0.000  1.0
  Se  Se15  1  0.869  0.345  0.500  1.0
[/CIF]
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