The material structure described by Cr3Mn3P2 crystallizes in the monoclinic C2 space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 2-coordinate geometry to one P(1) and one P(2) atom. In the second Cr site, Cr(2) is bonded in a 2-coordinate geometry to one Mn(1), one P(1), and one P(2) atom. In the third Cr site, Cr(3) is bonded in a 3-coordinate geometry to one P(2) and two equivalent P(1) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to one Cr(2), one P(1), and two equivalent P(2) atoms. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to two equivalent P(1) and two equivalent P(2) atoms. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to two equivalent P(1) and two equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Cr(1), one Cr(2), two equivalent Cr(3), one Mn(1), two equivalent Mn(2), and two equivalent Mn(3) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Cr(1), one Cr(2), one Cr(3), two equivalent Mn(1), two equivalent Mn(2), and two equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_Mn3Cr3P2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.738
_cell_length_b   6.738
_cell_length_c   8.996
_cell_angle_alpha   48.285
_cell_angle_beta   48.285
_cell_angle_gamma   38.355
_symmetry_Int_Tables_number   1
_cell_volume   179.869
_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  0.406  0.932  0.053  1.0
  Mn  Mn1  1  0.068  0.594  0.947  1.0
  Mn  Mn2  1  0.022  0.047  0.610  1.0
  Mn  Mn3  1  0.953  0.978  0.390  1.0
  Mn  Mn4  1  0.362  0.342  0.675  1.0
  Mn  Mn5  1  0.658  0.638  0.325  1.0
  Cr  Cr6  1  0.335  0.870  0.820  1.0
  Cr  Cr7  1  0.130  0.665  0.180  1.0
  Cr  Cr8  1  0.853  0.303  0.028  1.0
  Cr  Cr9  1  0.697  0.147  0.972  1.0
  Cr  Cr10  1  0.983  0.461  0.607  1.0
  Cr  Cr11  1  0.539  0.017  0.393  1.0
  P  P12  1  0.534  0.545  0.666  1.0
  P  P13  1  0.455  0.466  0.334  1.0
  P  P14  1  0.797  0.792  0.753  1.0
  P  P15  1  0.208  0.203  0.247  1.0
[/CIF]
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The material structure described by Cr3Mn3P2 crystallizes in the monoclinic C2 space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 2-coordinate geometry to one P(1) and one P(2) atom. In the second Cr site, Cr(2) is bonded in a 2-coordinate geometry to one Mn(1), one P(1), and one P(2) atom. In the third Cr site, Cr(3) is bonded in a 3-coordinate geometry to one P(2) and two equivalent P(1) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to one Cr(2), one P(1), and two equivalent P(2) atoms. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to two equivalent P(1) and two equivalent P(2) atoms. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to two equivalent P(1) and two equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Cr(1), one Cr(2), two equivalent Cr(3), one Mn(1), two equivalent Mn(2), and two equivalent Mn(3) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Cr(1), one Cr(2), one Cr(3), two equivalent Mn(1), two equivalent Mn(2), and two equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_Mn3Cr3P2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.738
_cell_length_b   6.738
_cell_length_c   8.996
_cell_angle_alpha   48.285
_cell_angle_beta   48.285
_cell_angle_gamma   38.355
_symmetry_Int_Tables_number   1
_cell_volume   179.869
_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  0.406  0.932  0.053  1.0
  Mn  Mn1  1  0.068  0.594  0.947  1.0
  Mn  Mn2  1  0.022  0.047  0.610  1.0
  Mn  Mn3  1  0.953  0.978  0.390  1.0
  Mn  Mn4  1  0.362  0.342  0.675  1.0
  Mn  Mn5  1  0.658  0.638  0.325  1.0
  Cr  Cr6  1  0.335  0.870  0.820  1.0
  Cr  Cr7  1  0.130  0.665  0.180  1.0
  Cr  Cr8  1  0.853  0.303  0.028  1.0
  Cr  Cr9  1  0.697  0.147  0.972  1.0
  Cr  Cr10  1  0.983  0.461  0.607  1.0
  Cr  Cr11  1  0.539  0.017  0.393  1.0
  P  P12  1  0.534  0.545  0.666  1.0
  P  P13  1  0.455  0.466  0.334  1.0
  P  P14  1  0.797  0.792  0.753  1.0
  P  P15  1  0.208  0.203  0.247  1.0
[/CIF]
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