The crystal structure described by Mn2Cu2AsP crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to four equivalent Cu(2), four equivalent As(1), and one P(1) atom. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to two equivalent Cu(2), one As(1), and four equivalent P(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to two equivalent Cu(2), two equivalent As(1), and two equivalent P(1) atoms. In the second Cu site, Cu(2) is bonded in a 12-coordinate geometry to two equivalent Mn(2), four equivalent Mn(1), two equivalent Cu(1), two equivalent As(1), and two equivalent P(1) atoms. As(1) is bonded in a 9-coordinate geometry to one Mn(2), four equivalent Mn(1), two equivalent Cu(1), and two equivalent Cu(2) atoms. P(1) is bonded in a 9-coordinate geometry to one Mn(1), four equivalent Mn(2), two equivalent Cu(1), and two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_Mn2Cu2AsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.603
_cell_length_b   6.139
_cell_length_c   7.384
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   163.301
_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  0.750  0.960  0.144  1.0
  Mn  Mn1  1  0.750  0.460  0.356  1.0
  Mn  Mn2  1  0.250  0.030  0.832  1.0
  Mn  Mn3  1  0.250  0.530  0.668  1.0
  Cu  Cu4  1  0.750  0.867  0.573  1.0
  Cu  Cu5  1  0.750  0.367  0.927  1.0
  Cu  Cu6  1  0.250  0.141  0.454  1.0
  Cu  Cu7  1  0.250  0.641  0.046  1.0
  As  As8  1  0.250  0.753  0.360  1.0
  As  As9  1  0.250  0.253  0.140  1.0
  P  P10  1  0.750  0.249  0.636  1.0
  P  P11  1  0.750  0.749  0.864  1.0
[/CIF]
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The crystal structure described by Mn2Cu2AsP crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to four equivalent Cu(2), four equivalent As(1), and one P(1) atom. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to two equivalent Cu(2), one As(1), and four equivalent P(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to two equivalent Cu(2), two equivalent As(1), and two equivalent P(1) atoms. In the second Cu site, Cu(2) is bonded in a 12-coordinate geometry to two equivalent Mn(2), four equivalent Mn(1), two equivalent Cu(1), two equivalent As(1), and two equivalent P(1) atoms. As(1) is bonded in a 9-coordinate geometry to one Mn(2), four equivalent Mn(1), two equivalent Cu(1), and two equivalent Cu(2) atoms. P(1) is bonded in a 9-coordinate geometry to one Mn(1), four equivalent Mn(2), two equivalent Cu(1), and two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_Mn2Cu2AsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.603
_cell_length_b   6.139
_cell_length_c   7.384
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   163.301
_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  0.750  0.960  0.144  1.0
  Mn  Mn1  1  0.750  0.460  0.356  1.0
  Mn  Mn2  1  0.250  0.030  0.832  1.0
  Mn  Mn3  1  0.250  0.530  0.668  1.0
  Cu  Cu4  1  0.750  0.867  0.573  1.0
  Cu  Cu5  1  0.750  0.367  0.927  1.0
  Cu  Cu6  1  0.250  0.141  0.454  1.0
  Cu  Cu7  1  0.250  0.641  0.046  1.0
  As  As8  1  0.250  0.753  0.360  1.0
  As  As9  1  0.250  0.253  0.140  1.0
  P  P10  1  0.750  0.249  0.636  1.0
  P  P11  1  0.750  0.749  0.864  1.0
[/CIF]
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