The material structure described by Hf20Co5P11 crystallizes in the monoclinic Pm space group. There are twenty inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 4-coordinate geometry to one Co(1), one P(5), one P(9), and two equivalent P(8) atoms. In the second Hf site, Hf(2) is bonded in a 4-coordinate geometry to one Co(2), one P(10), one P(6), and two equivalent P(7) atoms. In the third Hf site, Hf(3) is bonded in a 4-coordinate geometry to one Co(3), one P(11), one P(7), and two equivalent P(6) atoms. In the fourth Hf site, Hf(4) is bonded in a 4-coordinate geometry to one Co(4), one Co(5), one P(8), and two equivalent P(5) atoms. In the fifth Hf site, Hf(5) is bonded in a 6-coordinate geometry to one Co(1), two equivalent Co(5), one P(10), and two equivalent P(4) atoms. In the sixth Hf site, Hf(6) is bonded in a 6-coordinate geometry to one Co(2), one P(9), two equivalent P(11), and two equivalent P(3) atoms. In the seventh Hf site, Hf(7) is bonded in a 6-coordinate geometry to one Co(3), one Co(5), two equivalent P(10), and two equivalent P(2) atoms. In the eighth Hf site, Hf(8) is bonded in a 6-coordinate geometry to one Co(4), one P(11), two equivalent P(1), and two equivalent P(9) atoms. In the ninth Hf site, Hf(9) is bonded in a 6-coordinate geometry to two equivalent Co(4), one P(1), one P(9), and two equivalent P(8) atoms. In the tenth Hf site, Hf(10) is bonded in a 6-coordinate geometry to two equivalent Co(3), one P(10), one P(2), and two equivalent P(7) atoms. In the eleventh Hf site, Hf(11) is bonded in a 6-coordinate geometry to two equivalent Co(2), one P(11), one P(3), and two equivalent P(6) atoms. In the twelfth Hf site, Hf(12) is bonded in a 6-coordinate geometry to one Co(5), two equivalent Co(1), one P(4), and two equivalent P(5) atoms. In the thirteenth Hf site, Hf(13) is bonded in a 7-coordinate geometry to one Co(2), two equivalent Co(4), one P(1), one P(5), and two equivalent P(3) atoms. In the fourteenth Hf site, Hf(14) is bonded in a 7-coordinate geometry to one Co(1), two equivalent Co(3), one P(2), one P(6), and two equivalent P(4) atoms. In the fifteenth Hf site, Hf(15) is bonded in a 7-coordinate geometry to one Co(4), two equivalent Co(2), one P(3), one P(7), and two equivalent P(1) atoms. In the sixteenth Hf site, Hf(16) is bonded in a 7-coordinate geometry to one Co(3), two equivalent Co(1), one P(4), one P(8), and two equivalent P(2) atoms. In the seventeenth Hf site, Hf(17) is bonded to two equivalent Co(5), one P(2), and two equivalent P(8) atoms to form distorted edge-sharing HfCo2P3 trigonal bipyramids. In the eighteenth Hf site, Hf(18) is bonded to one P(1), two equivalent P(11), and two equivalent P(7) atoms to form distorted edge-sharing HfP5 trigonal bipyramids. In the nineteenth Hf site, Hf(19) is bonded to one P(4), two equivalent P(10), and two equivalent P(6) atoms to form distorted edge-sharing HfP5 trigonal bipyramids. In the twentieth Hf site, Hf(20) is bonded to one P(3), two equivalent P(5), and two equivalent P(9) atoms to form distorted edge-sharing HfP5 trigonal bipyramids. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to one Hf(1), one Hf(14), one Hf(5), two equivalent Hf(12), two equivalent Hf(16), and two equivalent P(4) atoms. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to one Hf(13), one Hf(2), one Hf(6), two equivalent Hf(11), two equivalent Hf(15), and two equivalent P(3) atoms. In the third Co site, Co(3) is bonded in a 9-coordinate geometry to one Hf(16), one Hf(3), one Hf(7), two equivalent Hf(10), two equivalent Hf(14), and two equivalent P(2) atoms. In the fourth Co site, Co(4) is bonded in a 9-coordinate geometry to one Hf(15), one Hf(4), one Hf(8), two equivalent Hf(13), two equivalent Hf(9), and two equivalent P(1) atoms. In the fifth Co site, Co(5) is bonded to one Hf(12), one Hf(4), one Hf(7), two equivalent Hf(17), and two equivalent Hf(5) atoms to form distorted CoHf7 pentagonal bipyramids that share edges with two equivalent Co(5)Hf7 pentagonal bipyramids and edges with two equivalent P(10)Hf7 pentagonal bipyramids. There are eleven inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Hf(13), one Hf(18), one Hf(9), two equivalent Hf(15), two equivalent Hf(8), and two equivalent Co(4) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Hf(10), one Hf(14), one Hf(17), two equivalent Hf(16), two equivalent Hf(7), and two equivalent Co(3) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Hf(11), one Hf(15), one Hf(20), two equivalent Hf(13), two equivalent Hf(6), and two equivalent Co(2) atoms. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to one Hf(12), one Hf(16), one Hf(19), two equivalent Hf(14), two equivalent Hf(5), and two equivalent Co(1) atoms. In the fifth P site, P(5) is bonded in a 8-coordinate geometry to one Hf(1), one Hf(13), two equivalent Hf(12), two equivalent Hf(20), and two equivalent Hf(4) atoms. In the sixth P site, P(6) is bonded in a 8-coordinate geometry to one Hf(14), one Hf(2), two equivalent Hf(11), two equivalent Hf(19), and two equivalent Hf(3) atoms. In the seventh P site, P(7) is bonded in a 8-coordinate geometry to one Hf(15), one Hf(3), two equivalent Hf(10), two equivalent Hf(18), and two equivalent Hf(2) atoms. In the eighth P site, P(8) is bonded in a 8-coordinate geometry to one Hf(16), one Hf(4), two equivalent Hf(1), two equivalent Hf(17), and two equivalent Hf(9) atoms. In the ninth P site, P(9) is bonded to one Hf(1), one Hf(6), one Hf(9), two equivalent Hf(20), and two equivalent Hf(8) atoms to form distorted edge-sharing PHf7 pentagonal bipyramids. In the tenth P site, P(10) is bonded to one Hf(10), one Hf(2), one Hf(5), two equivalent Hf(19), and two equivalent Hf(7) atoms to form distorted PHf7 pentagonal bipyramids that share edges with two equivalent Co(5)Hf7 pentagonal bipyramids and edges with two equivalent P(10)Hf7 pentagonal bipyramids. In the eleventh P site, P(11) is bonded to one Hf(11), one Hf(3), one Hf(8), two equivalent Hf(18), and two equivalent Hf(6) atoms to form distorted edge-sharing PHf7 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Hf20Co5P11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.594
_cell_length_b   10.225
_cell_length_c   17.081
_cell_angle_alpha   89.742
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   627.695
_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
  Hf  Hf0  1  0.000  0.015  0.229  1.0
  Hf  Hf1  1  0.000  0.487  0.728  1.0
  Hf  Hf2  1  0.500  0.988  0.772  1.0
  Hf  Hf3  1  0.500  0.512  0.268  1.0
  Hf  Hf4  1  0.000  0.380  0.027  1.0
  Hf  Hf5  1  0.000  0.122  0.523  1.0
  Hf  Hf6  1  0.500  0.621  0.978  1.0
  Hf  Hf7  1  0.500  0.879  0.477  1.0
  Hf  Hf8  1  0.000  0.746  0.332  1.0
  Hf  Hf9  1  0.000  0.754  0.832  1.0
  Hf  Hf10  1  0.500  0.253  0.668  1.0
  Hf  Hf11  1  0.500  0.250  0.168  1.0
  Hf  Hf12  1  0.000  0.441  0.423  1.0
  Hf  Hf13  1  0.000  0.061  0.924  1.0
  Hf  Hf14  1  0.500  0.561  0.576  1.0
  Hf  Hf15  1  0.500  0.940  0.076  1.0
  Hf  Hf16  1  0.000  0.678  0.132  1.0
  Hf  Hf17  1  0.000  0.815  0.632  1.0
  Hf  Hf18  1  0.500  0.315  0.868  1.0
  Hf  Hf19  1  0.500  0.184  0.369  1.0
  Co  Co20  1  0.000  0.133  0.088  1.0
  Co  Co21  1  0.000  0.366  0.588  1.0
  Co  Co22  1  0.500  0.865  0.911  1.0
  Co  Co23  1  0.500  0.633  0.414  1.0
  Co  Co24  1  0.500  0.497  0.114  1.0
  P  P25  1  0.000  0.689  0.491  1.0
  P  P26  1  0.000  0.812  0.991  1.0
  P  P27  1  0.500  0.312  0.509  1.0
  P  P28  1  0.500  0.187  0.008  1.0
  P  P29  1  0.000  0.313  0.283  1.0
  P  P30  1  0.000  0.186  0.782  1.0
  P  P31  1  0.500  0.685  0.718  1.0
  P  P32  1  0.500  0.818  0.218  1.0
  P  P33  1  0.000  0.994  0.384  1.0
  P  P34  1  0.000  0.504  0.884  1.0
  P  P35  1  0.500  0.006  0.616  1.0
[/CIF]
.
The material structure described by Hf20Co5P11 crystallizes in the monoclinic Pm space group. There are twenty inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 4-coordinate geometry to one Co(1), one P(5), one P(9), and two equivalent P(8) atoms. In the second Hf site, Hf(2) is bonded in a 4-coordinate geometry to one Co(2), one P(10), one P(6), and two equivalent P(7) atoms. In the third Hf site, Hf(3) is bonded in a 4-coordinate geometry to one Co(3), one P(11), one P(7), and two equivalent P(6) atoms. In the fourth Hf site, Hf(4) is bonded in a 4-coordinate geometry to one Co(4), one Co(5), one P(8), and two equivalent P(5) atoms. In the fifth Hf site, Hf(5) is bonded in a 6-coordinate geometry to one Co(1), two equivalent Co(5), one P(10), and two equivalent P(4) atoms. In the sixth Hf site, Hf(6) is bonded in a 6-coordinate geometry to one Co(2), one P(9), two equivalent P(11), and two equivalent P(3) atoms. In the seventh Hf site, Hf(7) is bonded in a 6-coordinate geometry to one Co(3), one Co(5), two equivalent P(10), and two equivalent P(2) atoms. In the eighth Hf site, Hf(8) is bonded in a 6-coordinate geometry to one Co(4), one P(11), two equivalent P(1), and two equivalent P(9) atoms. In the ninth Hf site, Hf(9) is bonded in a 6-coordinate geometry to two equivalent Co(4), one P(1), one P(9), and two equivalent P(8) atoms. In the tenth Hf site, Hf(10) is bonded in a 6-coordinate geometry to two equivalent Co(3), one P(10), one P(2), and two equivalent P(7) atoms. In the eleventh Hf site, Hf(11) is bonded in a 6-coordinate geometry to two equivalent Co(2), one P(11), one P(3), and two equivalent P(6) atoms. In the twelfth Hf site, Hf(12) is bonded in a 6-coordinate geometry to one Co(5), two equivalent Co(1), one P(4), and two equivalent P(5) atoms. In the thirteenth Hf site, Hf(13) is bonded in a 7-coordinate geometry to one Co(2), two equivalent Co(4), one P(1), one P(5), and two equivalent P(3) atoms. In the fourteenth Hf site, Hf(14) is bonded in a 7-coordinate geometry to one Co(1), two equivalent Co(3), one P(2), one P(6), and two equivalent P(4) atoms. In the fifteenth Hf site, Hf(15) is bonded in a 7-coordinate geometry to one Co(4), two equivalent Co(2), one P(3), one P(7), and two equivalent P(1) atoms. In the sixteenth Hf site, Hf(16) is bonded in a 7-coordinate geometry to one Co(3), two equivalent Co(1), one P(4), one P(8), and two equivalent P(2) atoms. In the seventeenth Hf site, Hf(17) is bonded to two equivalent Co(5), one P(2), and two equivalent P(8) atoms to form distorted edge-sharing HfCo2P3 trigonal bipyramids. In the eighteenth Hf site, Hf(18) is bonded to one P(1), two equivalent P(11), and two equivalent P(7) atoms to form distorted edge-sharing HfP5 trigonal bipyramids. In the nineteenth Hf site, Hf(19) is bonded to one P(4), two equivalent P(10), and two equivalent P(6) atoms to form distorted edge-sharing HfP5 trigonal bipyramids. In the twentieth Hf site, Hf(20) is bonded to one P(3), two equivalent P(5), and two equivalent P(9) atoms to form distorted edge-sharing HfP5 trigonal bipyramids. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to one Hf(1), one Hf(14), one Hf(5), two equivalent Hf(12), two equivalent Hf(16), and two equivalent P(4) atoms. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to one Hf(13), one Hf(2), one Hf(6), two equivalent Hf(11), two equivalent Hf(15), and two equivalent P(3) atoms. In the third Co site, Co(3) is bonded in a 9-coordinate geometry to one Hf(16), one Hf(3), one Hf(7), two equivalent Hf(10), two equivalent Hf(14), and two equivalent P(2) atoms. In the fourth Co site, Co(4) is bonded in a 9-coordinate geometry to one Hf(15), one Hf(4), one Hf(8), two equivalent Hf(13), two equivalent Hf(9), and two equivalent P(1) atoms. In the fifth Co site, Co(5) is bonded to one Hf(12), one Hf(4), one Hf(7), two equivalent Hf(17), and two equivalent Hf(5) atoms to form distorted CoHf7 pentagonal bipyramids that share edges with two equivalent Co(5)Hf7 pentagonal bipyramids and edges with two equivalent P(10)Hf7 pentagonal bipyramids. There are eleven inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Hf(13), one Hf(18), one Hf(9), two equivalent Hf(15), two equivalent Hf(8), and two equivalent Co(4) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Hf(10), one Hf(14), one Hf(17), two equivalent Hf(16), two equivalent Hf(7), and two equivalent Co(3) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Hf(11), one Hf(15), one Hf(20), two equivalent Hf(13), two equivalent Hf(6), and two equivalent Co(2) atoms. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to one Hf(12), one Hf(16), one Hf(19), two equivalent Hf(14), two equivalent Hf(5), and two equivalent Co(1) atoms. In the fifth P site, P(5) is bonded in a 8-coordinate geometry to one Hf(1), one Hf(13), two equivalent Hf(12), two equivalent Hf(20), and two equivalent Hf(4) atoms. In the sixth P site, P(6) is bonded in a 8-coordinate geometry to one Hf(14), one Hf(2), two equivalent Hf(11), two equivalent Hf(19), and two equivalent Hf(3) atoms. In the seventh P site, P(7) is bonded in a 8-coordinate geometry to one Hf(15), one Hf(3), two equivalent Hf(10), two equivalent Hf(18), and two equivalent Hf(2) atoms. In the eighth P site, P(8) is bonded in a 8-coordinate geometry to one Hf(16), one Hf(4), two equivalent Hf(1), two equivalent Hf(17), and two equivalent Hf(9) atoms. In the ninth P site, P(9) is bonded to one Hf(1), one Hf(6), one Hf(9), two equivalent Hf(20), and two equivalent Hf(8) atoms to form distorted edge-sharing PHf7 pentagonal bipyramids. In the tenth P site, P(10) is bonded to one Hf(10), one Hf(2), one Hf(5), two equivalent Hf(19), and two equivalent Hf(7) atoms to form distorted PHf7 pentagonal bipyramids that share edges with two equivalent Co(5)Hf7 pentagonal bipyramids and edges with two equivalent P(10)Hf7 pentagonal bipyramids. In the eleventh P site, P(11) is bonded to one Hf(11), one Hf(3), one Hf(8), two equivalent Hf(18), and two equivalent Hf(6) atoms to form distorted edge-sharing PHf7 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Hf20Co5P11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.594
_cell_length_b   10.225
_cell_length_c   17.081
_cell_angle_alpha   89.742
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   627.695
_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
  Hf  Hf0  1  0.000  0.015  0.229  1.0
  Hf  Hf1  1  0.000  0.487  0.728  1.0
  Hf  Hf2  1  0.500  0.988  0.772  1.0
  Hf  Hf3  1  0.500  0.512  0.268  1.0
  Hf  Hf4  1  0.000  0.380  0.027  1.0
  Hf  Hf5  1  0.000  0.122  0.523  1.0
  Hf  Hf6  1  0.500  0.621  0.978  1.0
  Hf  Hf7  1  0.500  0.879  0.477  1.0
  Hf  Hf8  1  0.000  0.746  0.332  1.0
  Hf  Hf9  1  0.000  0.754  0.832  1.0
  Hf  Hf10  1  0.500  0.253  0.668  1.0
  Hf  Hf11  1  0.500  0.250  0.168  1.0
  Hf  Hf12  1  0.000  0.441  0.423  1.0
  Hf  Hf13  1  0.000  0.061  0.924  1.0
  Hf  Hf14  1  0.500  0.561  0.576  1.0
  Hf  Hf15  1  0.500  0.940  0.076  1.0
  Hf  Hf16  1  0.000  0.678  0.132  1.0
  Hf  Hf17  1  0.000  0.815  0.632  1.0
  Hf  Hf18  1  0.500  0.315  0.868  1.0
  Hf  Hf19  1  0.500  0.184  0.369  1.0
  Co  Co20  1  0.000  0.133  0.088  1.0
  Co  Co21  1  0.000  0.366  0.588  1.0
  Co  Co22  1  0.500  0.865  0.911  1.0
  Co  Co23  1  0.500  0.633  0.414  1.0
  Co  Co24  1  0.500  0.497  0.114  1.0
  P  P25  1  0.000  0.689  0.491  1.0
  P  P26  1  0.000  0.812  0.991  1.0
  P  P27  1  0.500  0.312  0.509  1.0
  P  P28  1  0.500  0.187  0.008  1.0
  P  P29  1  0.000  0.313  0.283  1.0
  P  P30  1  0.000  0.186  0.782  1.0
  P  P31  1  0.500  0.685  0.718  1.0
  P  P32  1  0.500  0.818  0.218  1.0
  P  P33  1  0.000  0.994  0.384  1.0
  P  P34  1  0.000  0.504  0.884  1.0
  P  P35  1  0.500  0.006  0.616  1.0
[/CIF]
.