The structure described by Mn4AsP3 is Modderite-derived structured and crystallizes in the monoclinic Pm space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one As(1), one P(1), two equivalent P(2), and two equivalent P(3) atoms. In the second Mn site, Mn(2) is bonded to one As(1), one P(1), two equivalent P(2), and two equivalent P(3) atoms to form distorted edge-sharing MnAsP5 octahedra. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to two equivalent As(1), one P(2), one P(3), and two equivalent P(1) atoms. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to two equivalent As(1), one P(2), one P(3), and two equivalent P(1) atoms. As(1) is bonded in a 6-coordinate geometry to one Mn(1), one Mn(2), two equivalent Mn(3), and two equivalent Mn(4) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to one Mn(1), one Mn(2), two equivalent Mn(3), and two equivalent Mn(4) atoms. In the second P site, P(2) is bonded in a 6-coordinate geometry to one Mn(3), one Mn(4), two equivalent Mn(1), and two equivalent Mn(2) atoms. In the third P site, P(3) is bonded in a 6-coordinate geometry to one Mn(3), one Mn(4), two equivalent Mn(1), and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn4AsP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.245
_cell_length_b   5.272
_cell_length_c   5.910
_cell_angle_alpha   89.998
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.118
_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
  Mn  Mn0  1  0.500  0.502  0.308  1.0
  Mn  Mn1  1  0.500  0.009  0.204  1.0
  Mn  Mn2  1  0.000  0.489  0.685  1.0
  Mn  Mn3  1  0.000  0.009  0.800  1.0
  As  As4  1  0.500  0.690  0.925  1.0
  P  P5  1  0.500  0.189  0.571  1.0
  P  P6  1  0.000  0.304  0.079  1.0
  P  P7  1  0.000  0.808  0.427  1.0
[/CIF]
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The structure described by Mn4AsP3 is Modderite-derived structured and crystallizes in the monoclinic Pm space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one As(1), one P(1), two equivalent P(2), and two equivalent P(3) atoms. In the second Mn site, Mn(2) is bonded to one As(1), one P(1), two equivalent P(2), and two equivalent P(3) atoms to form distorted edge-sharing MnAsP5 octahedra. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to two equivalent As(1), one P(2), one P(3), and two equivalent P(1) atoms. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to two equivalent As(1), one P(2), one P(3), and two equivalent P(1) atoms. As(1) is bonded in a 6-coordinate geometry to one Mn(1), one Mn(2), two equivalent Mn(3), and two equivalent Mn(4) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to one Mn(1), one Mn(2), two equivalent Mn(3), and two equivalent Mn(4) atoms. In the second P site, P(2) is bonded in a 6-coordinate geometry to one Mn(3), one Mn(4), two equivalent Mn(1), and two equivalent Mn(2) atoms. In the third P site, P(3) is bonded in a 6-coordinate geometry to one Mn(3), one Mn(4), two equivalent Mn(1), and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn4AsP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.245
_cell_length_b   5.272
_cell_length_c   5.910
_cell_angle_alpha   89.998
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.118
_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
  Mn  Mn0  1  0.500  0.502  0.308  1.0
  Mn  Mn1  1  0.500  0.009  0.204  1.0
  Mn  Mn2  1  0.000  0.489  0.685  1.0
  Mn  Mn3  1  0.000  0.009  0.800  1.0
  As  As4  1  0.500  0.690  0.925  1.0
  P  P5  1  0.500  0.189  0.571  1.0
  P  P6  1  0.000  0.304  0.079  1.0
  P  P7  1  0.000  0.808  0.427  1.0
[/CIF]
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