The crystal structure described by Zr2Mn4P3 crystallizes in the hexagonal P-62m space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to two equivalent Mn(4), two equivalent P(3), and four equivalent P(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent P(2) atoms. In the third Zr site, Zr(3) is bonded in a 13-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), four equivalent Mn(3), one P(3), and four equivalent P(2) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent Zr(3), two equivalent P(1), and two equivalent P(2) atoms to form distorted MnZr2P4 tetrahedra that share corners with six equivalent Mn(3)Zr2P4 tetrahedra, edges with two equivalent Mn(1)Zr2P4 tetrahedra, faces with two equivalent Mn(3)Zr2P4 tetrahedra, and faces with four equivalent Mn(2)ZrP4 tetrahedra. In the second Mn site, Mn(2) is bonded to one Zr(3), one P(1), one P(3), and two equivalent P(2) atoms to form distorted MnZrP4 tetrahedra that share corners with three equivalent Mn(2)ZrP4 tetrahedra, corners with four equivalent Mn(3)Zr2P4 tetrahedra,  an edgeedge with one Mn(2)ZrP4 tetrahedra, edges with four equivalent Mn(3)Zr2P4 tetrahedra, and faces with two equivalent Mn(1)Zr2P4 tetrahedra. In the third Mn site, Mn(3) is bonded to two equivalent Zr(3), two equivalent P(2), and two equivalent P(3) atoms to form distorted MnZr2P4 tetrahedra that share corners with two equivalent Mn(3)Zr2P4 tetrahedra, corners with three equivalent Mn(1)Zr2P4 tetrahedra, corners with four equivalent Mn(2)ZrP4 tetrahedra, edges with four equivalent Mn(3)Zr2P4 tetrahedra, edges with four equivalent Mn(2)ZrP4 tetrahedra,  a faceface with one Mn(1)Zr2P4 tetrahedra, and  a faceface with one Mn(3)Zr2P4 tetrahedra. In the fourth Mn site, Mn(4) is bonded in a trigonal planar geometry to six equivalent Zr(1) and three equivalent P(1) atoms. There are three inequivalent P sites. In the first P site, P(3) is bonded in a 9-coordinate geometry to one Zr(3), two equivalent Zr(1), two equivalent Mn(2), and four equivalent Mn(3) atoms. In the second P site, P(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1), one Mn(4), two equivalent Mn(1), and two equivalent Mn(2) atoms. In the third P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Zr(2), two equivalent Zr(3), one Mn(1), two equivalent Mn(2), and two equivalent Mn(3) atoms. is represented by the CIF file [CIF]
data_Zr2Mn4P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.635
_cell_length_b   12.635
_cell_length_c   3.585
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   495.665
_cell_formula_units_Z   4
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
  Zr  Zr0  1  0.000  0.172  0.500  1.0
  Zr  Zr1  1  0.828  0.828  0.500  1.0
  Zr  Zr2  1  0.172  0.000  0.500  1.0
  Zr  Zr3  1  0.667  0.333  0.000  1.0
  Zr  Zr4  1  0.333  0.667  0.000  1.0
  Zr  Zr5  1  0.000  0.544  0.000  1.0
  Zr  Zr6  1  0.456  0.456  0.000  1.0
  Zr  Zr7  1  0.544  0.000  0.000  1.0
  Mn  Mn8  1  0.000  0.716  0.500  1.0
  Mn  Mn9  1  0.284  0.284  0.500  1.0
  Mn  Mn10  1  0.716  0.000  0.500  1.0
  Mn  Mn11  1  0.802  0.174  0.000  1.0
  Mn  Mn12  1  0.826  0.627  0.000  1.0
  Mn  Mn13  1  0.373  0.198  0.000  1.0
  Mn  Mn14  1  0.174  0.802  0.000  1.0
  Mn  Mn15  1  0.627  0.826  0.000  1.0
  Mn  Mn16  1  0.198  0.373  0.000  1.0
  Mn  Mn17  1  0.875  0.343  0.500  1.0
  Mn  Mn18  1  0.657  0.532  0.500  1.0
  Mn  Mn19  1  0.468  0.125  0.500  1.0
  Mn  Mn20  1  0.343  0.875  0.500  1.0
  Mn  Mn21  1  0.532  0.657  0.500  1.0
  Mn  Mn22  1  0.125  0.468  0.500  1.0
  Mn  Mn23  1  0.000  0.000  0.000  1.0
  P  P24  1  0.000  0.826  0.000  1.0
  P  P25  1  0.174  0.174  0.000  1.0
  P  P26  1  0.826  0.000  0.000  1.0
  P  P27  1  0.679  0.170  0.500  1.0
  P  P28  1  0.830  0.509  0.500  1.0
  P  P29  1  0.491  0.321  0.500  1.0
  P  P30  1  0.170  0.679  0.500  1.0
  P  P31  1  0.509  0.830  0.500  1.0
  P  P32  1  0.321  0.491  0.500  1.0
  P  P33  1  0.000  0.337  0.000  1.0
  P  P34  1  0.663  0.663  0.000  1.0
  P  P35  1  0.337  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Zr2Mn4P3 crystallizes in the hexagonal P-62m space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to two equivalent Mn(4), two equivalent P(3), and four equivalent P(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent P(2) atoms. In the third Zr site, Zr(3) is bonded in a 13-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), four equivalent Mn(3), one P(3), and four equivalent P(2) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent Zr(3), two equivalent P(1), and two equivalent P(2) atoms to form distorted MnZr2P4 tetrahedra that share corners with six equivalent Mn(3)Zr2P4 tetrahedra, edges with two equivalent Mn(1)Zr2P4 tetrahedra, faces with two equivalent Mn(3)Zr2P4 tetrahedra, and faces with four equivalent Mn(2)ZrP4 tetrahedra. In the second Mn site, Mn(2) is bonded to one Zr(3), one P(1), one P(3), and two equivalent P(2) atoms to form distorted MnZrP4 tetrahedra that share corners with three equivalent Mn(2)ZrP4 tetrahedra, corners with four equivalent Mn(3)Zr2P4 tetrahedra,  an edgeedge with one Mn(2)ZrP4 tetrahedra, edges with four equivalent Mn(3)Zr2P4 tetrahedra, and faces with two equivalent Mn(1)Zr2P4 tetrahedra. In the third Mn site, Mn(3) is bonded to two equivalent Zr(3), two equivalent P(2), and two equivalent P(3) atoms to form distorted MnZr2P4 tetrahedra that share corners with two equivalent Mn(3)Zr2P4 tetrahedra, corners with three equivalent Mn(1)Zr2P4 tetrahedra, corners with four equivalent Mn(2)ZrP4 tetrahedra, edges with four equivalent Mn(3)Zr2P4 tetrahedra, edges with four equivalent Mn(2)ZrP4 tetrahedra,  a faceface with one Mn(1)Zr2P4 tetrahedra, and  a faceface with one Mn(3)Zr2P4 tetrahedra. In the fourth Mn site, Mn(4) is bonded in a trigonal planar geometry to six equivalent Zr(1) and three equivalent P(1) atoms. There are three inequivalent P sites. In the first P site, P(3) is bonded in a 9-coordinate geometry to one Zr(3), two equivalent Zr(1), two equivalent Mn(2), and four equivalent Mn(3) atoms. In the second P site, P(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1), one Mn(4), two equivalent Mn(1), and two equivalent Mn(2) atoms. In the third P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Zr(2), two equivalent Zr(3), one Mn(1), two equivalent Mn(2), and two equivalent Mn(3) atoms. is represented by the CIF file [CIF]
data_Zr2Mn4P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.635
_cell_length_b   12.635
_cell_length_c   3.585
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   495.665
_cell_formula_units_Z   4
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
  Zr  Zr0  1  0.000  0.172  0.500  1.0
  Zr  Zr1  1  0.828  0.828  0.500  1.0
  Zr  Zr2  1  0.172  0.000  0.500  1.0
  Zr  Zr3  1  0.667  0.333  0.000  1.0
  Zr  Zr4  1  0.333  0.667  0.000  1.0
  Zr  Zr5  1  0.000  0.544  0.000  1.0
  Zr  Zr6  1  0.456  0.456  0.000  1.0
  Zr  Zr7  1  0.544  0.000  0.000  1.0
  Mn  Mn8  1  0.000  0.716  0.500  1.0
  Mn  Mn9  1  0.284  0.284  0.500  1.0
  Mn  Mn10  1  0.716  0.000  0.500  1.0
  Mn  Mn11  1  0.802  0.174  0.000  1.0
  Mn  Mn12  1  0.826  0.627  0.000  1.0
  Mn  Mn13  1  0.373  0.198  0.000  1.0
  Mn  Mn14  1  0.174  0.802  0.000  1.0
  Mn  Mn15  1  0.627  0.826  0.000  1.0
  Mn  Mn16  1  0.198  0.373  0.000  1.0
  Mn  Mn17  1  0.875  0.343  0.500  1.0
  Mn  Mn18  1  0.657  0.532  0.500  1.0
  Mn  Mn19  1  0.468  0.125  0.500  1.0
  Mn  Mn20  1  0.343  0.875  0.500  1.0
  Mn  Mn21  1  0.532  0.657  0.500  1.0
  Mn  Mn22  1  0.125  0.468  0.500  1.0
  Mn  Mn23  1  0.000  0.000  0.000  1.0
  P  P24  1  0.000  0.826  0.000  1.0
  P  P25  1  0.174  0.174  0.000  1.0
  P  P26  1  0.826  0.000  0.000  1.0
  P  P27  1  0.679  0.170  0.500  1.0
  P  P28  1  0.830  0.509  0.500  1.0
  P  P29  1  0.491  0.321  0.500  1.0
  P  P30  1  0.170  0.679  0.500  1.0
  P  P31  1  0.509  0.830  0.500  1.0
  P  P32  1  0.321  0.491  0.500  1.0
  P  P33  1  0.000  0.337  0.000  1.0
  P  P34  1  0.663  0.663  0.000  1.0
  P  P35  1  0.337  0.000  0.000  1.0
[/CIF]
.