The compound described by Zr2Cr30P19 crystallizes in the hexagonal P-6 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 12-coordinate geometry to six equivalent Cr(1) and six equivalent P(5) atoms. In the second Zr site, Zr(2) is bonded to six equivalent Cr(6) and six equivalent P(4) atoms to form distorted ZrCr6P6 cuboctahedra that share edges with six equivalent Cr(6)Zr2P4 tetrahedra and faces with two equivalent Zr(2)Cr6P6 cuboctahedra. There are ten inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent Zr(1), two equivalent P(5), and two equivalent P(6) atoms to form a mixture of distorted edge, corner, and face-sharing CrZr2P4 tetrahedra. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one P(7), two equivalent P(2), and two equivalent P(4) atoms. In the third Cr site, Cr(3) is bonded in a 5-coordinate geometry to one P(6), two equivalent P(3), and two equivalent P(5) atoms. In the fourth Cr site, Cr(4) is bonded in a 4-coordinate geometry to one P(1), one P(3), and two equivalent P(2) atoms. In the fifth Cr site, Cr(5) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(1), and two equivalent P(3) atoms. In the sixth Cr site, Cr(6) is bonded to two equivalent Zr(2), two equivalent P(4), and two equivalent P(7) atoms to form distorted CrZr2P4 tetrahedra that share corners with four equivalent Cr(6)Zr2P4 tetrahedra, edges with two equivalent Zr(2)Cr6P6 cuboctahedra, edges with two equivalent Cr(6)Zr2P4 tetrahedra, and faces with two equivalent Cr(6)Zr2P4 tetrahedra. In the seventh Cr site, Cr(7) is bonded in a 5-coordinate geometry to one P(6), two equivalent P(5), and two equivalent P(7) atoms. In the eighth Cr site, Cr(8) is bonded in a 5-coordinate geometry to one P(7), two equivalent P(4), and two equivalent P(6) atoms. In the ninth Cr site, Cr(9) is bonded in a 5-coordinate geometry to one P(3), two equivalent P(2), and two equivalent P(6) atoms. In the tenth Cr site, Cr(10) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(3), and two equivalent P(7) atoms. There are seven inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to three equivalent Cr(4) and six equivalent Cr(5) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to one Cr(10), one Cr(5), two equivalent Cr(2), two equivalent Cr(4), and two equivalent Cr(9) atoms. In the third P site, P(3) is bonded in a 8-coordinate geometry to one Cr(4), one Cr(9), two equivalent Cr(10), two equivalent Cr(3), and two equivalent Cr(5) atoms. In the fourth P site, P(4) is bonded in a 8-coordinate geometry to two equivalent Zr(2), two equivalent Cr(2), two equivalent Cr(6), and two equivalent Cr(8) atoms. In the fifth P site, P(5) is bonded in a 8-coordinate geometry to two equivalent Zr(1), two equivalent Cr(1), two equivalent Cr(3), and two equivalent Cr(7) atoms. In the sixth P site, P(6) is bonded in a 8-coordinate geometry to one Cr(3), one Cr(7), two equivalent Cr(1), two equivalent Cr(8), and two equivalent Cr(9) atoms. In the seventh P site, P(7) is bonded in a 8-coordinate geometry to one Cr(2), one Cr(8), two equivalent Cr(10), two equivalent Cr(6), and two equivalent Cr(7) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr2Cr30P19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.863
_cell_length_b   14.863
_cell_length_c   3.264
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   624.513
_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
  Zr  Zr0  1  0.000  0.000  0.500  1.0
  Zr  Zr1  1  0.333  0.667  0.000  1.0
  Cr  Cr2  1  0.156  0.982  0.000  1.0
  Cr  Cr3  1  0.058  0.524  0.000  1.0
  Cr  Cr4  1  0.466  0.942  0.000  1.0
  Cr  Cr5  1  0.476  0.534  0.000  1.0
  Cr  Cr6  1  0.270  0.144  0.500  1.0
  Cr  Cr7  1  0.826  0.844  0.000  1.0
  Cr  Cr8  1  0.856  0.126  0.500  1.0
  Cr  Cr9  1  0.845  0.444  0.000  1.0
  Cr  Cr10  1  0.598  0.155  0.000  1.0
  Cr  Cr11  1  0.556  0.402  0.000  1.0
  Cr  Cr12  1  0.523  0.247  0.500  1.0
  Cr  Cr13  1  0.724  0.477  0.500  1.0
  Cr  Cr14  1  0.753  0.276  0.500  1.0
  Cr  Cr15  1  0.508  0.821  0.500  1.0
  Cr  Cr16  1  0.179  0.687  0.500  1.0
  Cr  Cr17  1  0.313  0.492  0.500  1.0
  Cr  Cr18  1  0.731  0.915  0.500  1.0
  Cr  Cr19  1  0.085  0.815  0.500  1.0
  Cr  Cr20  1  0.185  0.269  0.500  1.0
  Cr  Cr21  1  0.603  0.745  0.000  1.0
  Cr  Cr22  1  0.255  0.858  0.000  1.0
  Cr  Cr23  1  0.142  0.397  0.000  1.0
  Cr  Cr24  1  0.692  0.619  0.000  1.0
  Cr  Cr25  1  0.381  0.074  0.000  1.0
  Cr  Cr26  1  0.926  0.308  0.000  1.0
  Cr  Cr27  1  0.643  0.044  0.500  1.0
  Cr  Cr28  1  0.956  0.599  0.500  1.0
  Cr  Cr29  1  0.401  0.357  0.500  1.0
  Cr  Cr30  1  0.874  0.730  0.500  1.0
  Cr  Cr31  1  0.018  0.174  0.000  1.0
  P  P32  1  0.667  0.333  0.000  1.0
  P  P33  1  0.939  0.423  0.500  1.0
  P  P34  1  0.398  0.239  0.000  1.0
  P  P35  1  0.761  0.158  0.000  1.0
  P  P36  1  0.842  0.602  0.000  1.0
  P  P37  1  0.176  0.526  0.500  1.0
  P  P38  1  0.474  0.649  0.500  1.0
  P  P39  1  0.351  0.824  0.500  1.0
  P  P40  1  0.156  0.140  0.000  1.0
  P  P41  1  0.860  0.015  0.000  1.0
  P  P42  1  0.985  0.844  0.000  1.0
  P  P43  1  0.027  0.285  0.500  1.0
  P  P44  1  0.715  0.742  0.500  1.0
  P  P45  1  0.258  0.973  0.500  1.0
  P  P46  1  0.300  0.380  0.000  1.0
  P  P47  1  0.620  0.920  0.000  1.0
  P  P48  1  0.080  0.700  0.000  1.0
  P  P49  1  0.577  0.517  0.500  1.0
  P  P50  1  0.483  0.061  0.500  1.0
[/CIF]
.
The compound described by Zr2Cr30P19 crystallizes in the hexagonal P-6 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 12-coordinate geometry to six equivalent Cr(1) and six equivalent P(5) atoms. In the second Zr site, Zr(2) is bonded to six equivalent Cr(6) and six equivalent P(4) atoms to form distorted ZrCr6P6 cuboctahedra that share edges with six equivalent Cr(6)Zr2P4 tetrahedra and faces with two equivalent Zr(2)Cr6P6 cuboctahedra. There are ten inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent Zr(1), two equivalent P(5), and two equivalent P(6) atoms to form a mixture of distorted edge, corner, and face-sharing CrZr2P4 tetrahedra. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one P(7), two equivalent P(2), and two equivalent P(4) atoms. In the third Cr site, Cr(3) is bonded in a 5-coordinate geometry to one P(6), two equivalent P(3), and two equivalent P(5) atoms. In the fourth Cr site, Cr(4) is bonded in a 4-coordinate geometry to one P(1), one P(3), and two equivalent P(2) atoms. In the fifth Cr site, Cr(5) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(1), and two equivalent P(3) atoms. In the sixth Cr site, Cr(6) is bonded to two equivalent Zr(2), two equivalent P(4), and two equivalent P(7) atoms to form distorted CrZr2P4 tetrahedra that share corners with four equivalent Cr(6)Zr2P4 tetrahedra, edges with two equivalent Zr(2)Cr6P6 cuboctahedra, edges with two equivalent Cr(6)Zr2P4 tetrahedra, and faces with two equivalent Cr(6)Zr2P4 tetrahedra. In the seventh Cr site, Cr(7) is bonded in a 5-coordinate geometry to one P(6), two equivalent P(5), and two equivalent P(7) atoms. In the eighth Cr site, Cr(8) is bonded in a 5-coordinate geometry to one P(7), two equivalent P(4), and two equivalent P(6) atoms. In the ninth Cr site, Cr(9) is bonded in a 5-coordinate geometry to one P(3), two equivalent P(2), and two equivalent P(6) atoms. In the tenth Cr site, Cr(10) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(3), and two equivalent P(7) atoms. There are seven inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to three equivalent Cr(4) and six equivalent Cr(5) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to one Cr(10), one Cr(5), two equivalent Cr(2), two equivalent Cr(4), and two equivalent Cr(9) atoms. In the third P site, P(3) is bonded in a 8-coordinate geometry to one Cr(4), one Cr(9), two equivalent Cr(10), two equivalent Cr(3), and two equivalent Cr(5) atoms. In the fourth P site, P(4) is bonded in a 8-coordinate geometry to two equivalent Zr(2), two equivalent Cr(2), two equivalent Cr(6), and two equivalent Cr(8) atoms. In the fifth P site, P(5) is bonded in a 8-coordinate geometry to two equivalent Zr(1), two equivalent Cr(1), two equivalent Cr(3), and two equivalent Cr(7) atoms. In the sixth P site, P(6) is bonded in a 8-coordinate geometry to one Cr(3), one Cr(7), two equivalent Cr(1), two equivalent Cr(8), and two equivalent Cr(9) atoms. In the seventh P site, P(7) is bonded in a 8-coordinate geometry to one Cr(2), one Cr(8), two equivalent Cr(10), two equivalent Cr(6), and two equivalent Cr(7) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr2Cr30P19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.863
_cell_length_b   14.863
_cell_length_c   3.264
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   624.513
_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
  Zr  Zr0  1  0.000  0.000  0.500  1.0
  Zr  Zr1  1  0.333  0.667  0.000  1.0
  Cr  Cr2  1  0.156  0.982  0.000  1.0
  Cr  Cr3  1  0.058  0.524  0.000  1.0
  Cr  Cr4  1  0.466  0.942  0.000  1.0
  Cr  Cr5  1  0.476  0.534  0.000  1.0
  Cr  Cr6  1  0.270  0.144  0.500  1.0
  Cr  Cr7  1  0.826  0.844  0.000  1.0
  Cr  Cr8  1  0.856  0.126  0.500  1.0
  Cr  Cr9  1  0.845  0.444  0.000  1.0
  Cr  Cr10  1  0.598  0.155  0.000  1.0
  Cr  Cr11  1  0.556  0.402  0.000  1.0
  Cr  Cr12  1  0.523  0.247  0.500  1.0
  Cr  Cr13  1  0.724  0.477  0.500  1.0
  Cr  Cr14  1  0.753  0.276  0.500  1.0
  Cr  Cr15  1  0.508  0.821  0.500  1.0
  Cr  Cr16  1  0.179  0.687  0.500  1.0
  Cr  Cr17  1  0.313  0.492  0.500  1.0
  Cr  Cr18  1  0.731  0.915  0.500  1.0
  Cr  Cr19  1  0.085  0.815  0.500  1.0
  Cr  Cr20  1  0.185  0.269  0.500  1.0
  Cr  Cr21  1  0.603  0.745  0.000  1.0
  Cr  Cr22  1  0.255  0.858  0.000  1.0
  Cr  Cr23  1  0.142  0.397  0.000  1.0
  Cr  Cr24  1  0.692  0.619  0.000  1.0
  Cr  Cr25  1  0.381  0.074  0.000  1.0
  Cr  Cr26  1  0.926  0.308  0.000  1.0
  Cr  Cr27  1  0.643  0.044  0.500  1.0
  Cr  Cr28  1  0.956  0.599  0.500  1.0
  Cr  Cr29  1  0.401  0.357  0.500  1.0
  Cr  Cr30  1  0.874  0.730  0.500  1.0
  Cr  Cr31  1  0.018  0.174  0.000  1.0
  P  P32  1  0.667  0.333  0.000  1.0
  P  P33  1  0.939  0.423  0.500  1.0
  P  P34  1  0.398  0.239  0.000  1.0
  P  P35  1  0.761  0.158  0.000  1.0
  P  P36  1  0.842  0.602  0.000  1.0
  P  P37  1  0.176  0.526  0.500  1.0
  P  P38  1  0.474  0.649  0.500  1.0
  P  P39  1  0.351  0.824  0.500  1.0
  P  P40  1  0.156  0.140  0.000  1.0
  P  P41  1  0.860  0.015  0.000  1.0
  P  P42  1  0.985  0.844  0.000  1.0
  P  P43  1  0.027  0.285  0.500  1.0
  P  P44  1  0.715  0.742  0.500  1.0
  P  P45  1  0.258  0.973  0.500  1.0
  P  P46  1  0.300  0.380  0.000  1.0
  P  P47  1  0.620  0.920  0.000  1.0
  P  P48  1  0.080  0.700  0.000  1.0
  P  P49  1  0.577  0.517  0.500  1.0
  P  P50  1  0.483  0.061  0.500  1.0
[/CIF]
.