The material described by Mn3CoP4 is Modderite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one P(1), one P(2), two equivalent P(3), and two equivalent P(4) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one P(3), one P(4), two equivalent P(1), and two equivalent P(2) atoms. In the third Mn site, Mn(3) is bonded to one P(3), one P(4), two equivalent P(1), and two equivalent P(2) atoms to form distorted edge-sharing MnP6 octahedra. Co(1) is bonded in a 6-coordinate geometry to one P(1), one P(2), two equivalent P(3), and two equivalent P(4) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to one Mn(1), two equivalent Mn(2), two equivalent Mn(3), and one Co(1) atom. In the second P site, P(2) is bonded in a 6-coordinate geometry to one Mn(1), two equivalent Mn(2), two equivalent Mn(3), and one Co(1) atom. In the third P site, P(3) is bonded in a 6-coordinate geometry to one Mn(2), one Mn(3), two equivalent Mn(1), and two equivalent Co(1) atoms. In the fourth P site, P(4) is bonded in a 6-coordinate geometry to one Mn(2), one Mn(3), two equivalent Mn(1), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_Mn3CoP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.118
_cell_length_b   5.156
_cell_length_c   5.839
_cell_angle_alpha   90.249
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   93.872
_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  0.750  0.996  0.806  1.0
  Mn  Mn1  1  0.250  0.502  0.293  1.0
  Mn  Mn2  1  0.250  0.001  0.203  1.0
  Co  Co3  1  0.750  0.498  0.698  1.0
  P  P4  1  0.750  0.312  0.066  1.0
  P  P5  1  0.750  0.815  0.437  1.0
  P  P6  1  0.250  0.686  0.926  1.0
  P  P7  1  0.250  0.191  0.571  1.0
[/CIF]
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The material described by Mn3CoP4 is Modderite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one P(1), one P(2), two equivalent P(3), and two equivalent P(4) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one P(3), one P(4), two equivalent P(1), and two equivalent P(2) atoms. In the third Mn site, Mn(3) is bonded to one P(3), one P(4), two equivalent P(1), and two equivalent P(2) atoms to form distorted edge-sharing MnP6 octahedra. Co(1) is bonded in a 6-coordinate geometry to one P(1), one P(2), two equivalent P(3), and two equivalent P(4) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to one Mn(1), two equivalent Mn(2), two equivalent Mn(3), and one Co(1) atom. In the second P site, P(2) is bonded in a 6-coordinate geometry to one Mn(1), two equivalent Mn(2), two equivalent Mn(3), and one Co(1) atom. In the third P site, P(3) is bonded in a 6-coordinate geometry to one Mn(2), one Mn(3), two equivalent Mn(1), and two equivalent Co(1) atoms. In the fourth P site, P(4) is bonded in a 6-coordinate geometry to one Mn(2), one Mn(3), two equivalent Mn(1), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_Mn3CoP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.118
_cell_length_b   5.156
_cell_length_c   5.839
_cell_angle_alpha   90.249
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   93.872
_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  0.750  0.996  0.806  1.0
  Mn  Mn1  1  0.250  0.502  0.293  1.0
  Mn  Mn2  1  0.250  0.001  0.203  1.0
  Co  Co3  1  0.750  0.498  0.698  1.0
  P  P4  1  0.750  0.312  0.066  1.0
  P  P5  1  0.750  0.815  0.437  1.0
  P  P6  1  0.250  0.686  0.926  1.0
  P  P7  1  0.250  0.191  0.571  1.0
[/CIF]
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