The compound described by La2Mn3Cu9As7 crystallizes in the hexagonal P-6 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 18-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), six equivalent Cu(3), and six equivalent As(2) atoms. In the second La site, La(2) is bonded in a 15-coordinate geometry to three equivalent Cu(3), six equivalent Cu(1), and six equivalent As(1) atoms. Mn(1) is bonded in a 12-coordinate geometry to one Cu(3), two equivalent Cu(1), four equivalent Cu(2), one As(2), two equivalent As(1), and two equivalent As(3) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one La(1), two equivalent La(2), two equivalent Mn(1), two equivalent As(1), and two equivalent As(2) atoms to form a mixture of distorted corner and face-sharing CuLa3Mn2As4 tetrahedra. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one La(1), four equivalent Mn(1), one As(1), one As(3), and two equivalent As(2) atoms. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), one Mn(1), two equivalent As(1), and two equivalent As(2) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to two equivalent La(2), two equivalent Mn(1), one Cu(2), two equivalent Cu(1), and two equivalent Cu(3) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to two equivalent La(1), one Mn(1), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Cu(3) atoms. In the third As site, As(3) is bonded in a 9-coordinate geometry to six equivalent Mn(1) and three equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2Mn3Cu9As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.910
_cell_length_b   9.910
_cell_length_c   4.033
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   343.055
_cell_formula_units_Z   1
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
  La  La0  1  0.333  0.667  0.000  1.0
  La  La1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.766  0.554  0.500  1.0
  Mn  Mn3  1  0.446  0.212  0.500  1.0
  Mn  Mn4  1  0.788  0.234  0.500  1.0
  Cu  Cu5  1  0.717  0.755  0.000  1.0
  Cu  Cu6  1  0.245  0.962  0.000  1.0
  Cu  Cu7  1  0.038  0.283  0.000  1.0
  Cu  Cu8  1  0.949  0.493  0.000  1.0
  Cu  Cu9  1  0.507  0.456  0.000  1.0
  Cu  Cu10  1  0.544  0.051  0.000  1.0
  Cu  Cu11  1  0.089  0.709  0.500  1.0
  Cu  Cu12  1  0.291  0.380  0.500  1.0
  Cu  Cu13  1  0.620  0.911  0.500  1.0
  As  As14  1  0.965  0.749  0.000  1.0
  As  As15  1  0.251  0.215  0.000  1.0
  As  As16  1  0.785  0.035  0.000  1.0
  As  As17  1  0.079  0.449  0.500  1.0
  As  As18  1  0.551  0.630  0.500  1.0
  As  As19  1  0.370  0.921  0.500  1.0
  As  As20  1  0.667  0.333  0.000  1.0
[/CIF]
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The compound described by La2Mn3Cu9As7 crystallizes in the hexagonal P-6 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 18-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), six equivalent Cu(3), and six equivalent As(2) atoms. In the second La site, La(2) is bonded in a 15-coordinate geometry to three equivalent Cu(3), six equivalent Cu(1), and six equivalent As(1) atoms. Mn(1) is bonded in a 12-coordinate geometry to one Cu(3), two equivalent Cu(1), four equivalent Cu(2), one As(2), two equivalent As(1), and two equivalent As(3) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one La(1), two equivalent La(2), two equivalent Mn(1), two equivalent As(1), and two equivalent As(2) atoms to form a mixture of distorted corner and face-sharing CuLa3Mn2As4 tetrahedra. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one La(1), four equivalent Mn(1), one As(1), one As(3), and two equivalent As(2) atoms. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), one Mn(1), two equivalent As(1), and two equivalent As(2) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to two equivalent La(2), two equivalent Mn(1), one Cu(2), two equivalent Cu(1), and two equivalent Cu(3) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to two equivalent La(1), one Mn(1), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Cu(3) atoms. In the third As site, As(3) is bonded in a 9-coordinate geometry to six equivalent Mn(1) and three equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2Mn3Cu9As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.910
_cell_length_b   9.910
_cell_length_c   4.033
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   343.055
_cell_formula_units_Z   1
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
  La  La0  1  0.333  0.667  0.000  1.0
  La  La1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.766  0.554  0.500  1.0
  Mn  Mn3  1  0.446  0.212  0.500  1.0
  Mn  Mn4  1  0.788  0.234  0.500  1.0
  Cu  Cu5  1  0.717  0.755  0.000  1.0
  Cu  Cu6  1  0.245  0.962  0.000  1.0
  Cu  Cu7  1  0.038  0.283  0.000  1.0
  Cu  Cu8  1  0.949  0.493  0.000  1.0
  Cu  Cu9  1  0.507  0.456  0.000  1.0
  Cu  Cu10  1  0.544  0.051  0.000  1.0
  Cu  Cu11  1  0.089  0.709  0.500  1.0
  Cu  Cu12  1  0.291  0.380  0.500  1.0
  Cu  Cu13  1  0.620  0.911  0.500  1.0
  As  As14  1  0.965  0.749  0.000  1.0
  As  As15  1  0.251  0.215  0.000  1.0
  As  As16  1  0.785  0.035  0.000  1.0
  As  As17  1  0.079  0.449  0.500  1.0
  As  As18  1  0.551  0.630  0.500  1.0
  As  As19  1  0.370  0.921  0.500  1.0
  As  As20  1  0.667  0.333  0.000  1.0
[/CIF]
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