The crystal structure described by Pr2Mn3Cu9P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 18-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), six equivalent Cu(3), and six equivalent P(2) atoms. In the second Pr site, Pr(2) is bonded in a 15-coordinate geometry to three equivalent Cu(3), six equivalent Cu(1), and six equivalent P(1) atoms. Mn(1) is bonded in a 5-coordinate geometry to one Cu(3), one P(2), two equivalent P(1), and two equivalent P(3) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one Pr(1), two equivalent Pr(2), two equivalent Cu(3), two equivalent P(1), and two equivalent P(2) atoms. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one Pr(1), two equivalent Cu(3), one P(1), one P(3), and two equivalent P(2) atoms. In the third Cu site, Cu(3) is bonded in a 12-coordinate geometry to one Pr(2), two equivalent Pr(1), one Mn(1), two equivalent Cu(1), two equivalent Cu(2), two equivalent P(1), and two equivalent P(2) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Pr(2), two equivalent Mn(1), one Cu(2), two equivalent Cu(1), and two equivalent Cu(3) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Pr(1), one Mn(1), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Cu(3) atoms. In the third P site, P(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_Pr2Mn3Cu9P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.412
_cell_length_b   9.412
_cell_length_c   3.785
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   290.375
_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
  Pr  Pr0  1  0.333  0.667  0.000  1.0
  Pr  Pr1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.750  0.535  0.500  1.0
  Mn  Mn3  1  0.465  0.215  0.500  1.0
  Mn  Mn4  1  0.785  0.250  0.500  1.0
  Cu  Cu5  1  0.716  0.766  0.000  1.0
  Cu  Cu6  1  0.234  0.950  0.000  1.0
  Cu  Cu7  1  0.050  0.284  0.000  1.0
  Cu  Cu8  1  0.945  0.489  0.000  1.0
  Cu  Cu9  1  0.511  0.456  0.000  1.0
  Cu  Cu10  1  0.544  0.055  0.000  1.0
  Cu  Cu11  1  0.090  0.716  0.500  1.0
  Cu  Cu12  1  0.284  0.375  0.500  1.0
  Cu  Cu13  1  0.625  0.910  0.500  1.0
  P  P14  1  0.942  0.730  0.000  1.0
  P  P15  1  0.270  0.212  0.000  1.0
  P  P16  1  0.788  0.058  0.000  1.0
  P  P17  1  0.065  0.441  0.500  1.0
  P  P18  1  0.559  0.623  0.500  1.0
  P  P19  1  0.377  0.935  0.500  1.0
  P  P20  1  0.667  0.333  0.000  1.0
[/CIF]
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The crystal structure described by Pr2Mn3Cu9P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 18-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), six equivalent Cu(3), and six equivalent P(2) atoms. In the second Pr site, Pr(2) is bonded in a 15-coordinate geometry to three equivalent Cu(3), six equivalent Cu(1), and six equivalent P(1) atoms. Mn(1) is bonded in a 5-coordinate geometry to one Cu(3), one P(2), two equivalent P(1), and two equivalent P(3) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one Pr(1), two equivalent Pr(2), two equivalent Cu(3), two equivalent P(1), and two equivalent P(2) atoms. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one Pr(1), two equivalent Cu(3), one P(1), one P(3), and two equivalent P(2) atoms. In the third Cu site, Cu(3) is bonded in a 12-coordinate geometry to one Pr(2), two equivalent Pr(1), one Mn(1), two equivalent Cu(1), two equivalent Cu(2), two equivalent P(1), and two equivalent P(2) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Pr(2), two equivalent Mn(1), one Cu(2), two equivalent Cu(1), and two equivalent Cu(3) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Pr(1), one Mn(1), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Cu(3) atoms. In the third P site, P(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_Pr2Mn3Cu9P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.412
_cell_length_b   9.412
_cell_length_c   3.785
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   290.375
_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
  Pr  Pr0  1  0.333  0.667  0.000  1.0
  Pr  Pr1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.750  0.535  0.500  1.0
  Mn  Mn3  1  0.465  0.215  0.500  1.0
  Mn  Mn4  1  0.785  0.250  0.500  1.0
  Cu  Cu5  1  0.716  0.766  0.000  1.0
  Cu  Cu6  1  0.234  0.950  0.000  1.0
  Cu  Cu7  1  0.050  0.284  0.000  1.0
  Cu  Cu8  1  0.945  0.489  0.000  1.0
  Cu  Cu9  1  0.511  0.456  0.000  1.0
  Cu  Cu10  1  0.544  0.055  0.000  1.0
  Cu  Cu11  1  0.090  0.716  0.500  1.0
  Cu  Cu12  1  0.284  0.375  0.500  1.0
  Cu  Cu13  1  0.625  0.910  0.500  1.0
  P  P14  1  0.942  0.730  0.000  1.0
  P  P15  1  0.270  0.212  0.000  1.0
  P  P16  1  0.788  0.058  0.000  1.0
  P  P17  1  0.065  0.441  0.500  1.0
  P  P18  1  0.559  0.623  0.500  1.0
  P  P19  1  0.377  0.935  0.500  1.0
  P  P20  1  0.667  0.333  0.000  1.0
[/CIF]
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