The structure described by Zr3GeAs5 crystallizes in the monoclinic Pm space group. There are twelve inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 9-coordinate geometry to one Ge(1), one Ge(4), one As(2), two equivalent As(10), two equivalent As(19), and two equivalent As(7) atoms. In the second Zr site, Zr(2) is bonded in a 9-coordinate geometry to one Ge(2), one As(13), one As(3), two equivalent As(11), two equivalent As(20), and two equivalent As(8) atoms. In the third Zr site, Zr(3) is bonded in a 9-coordinate geometry to one Ge(3), one As(1), one As(14), two equivalent As(12), two equivalent As(18), and two equivalent As(9) atoms. In the fourth Zr site, Zr(4) is bonded in a 9-coordinate geometry to one Ge(1), one Ge(4), one As(4), two equivalent As(10), two equivalent As(15), and two equivalent As(7) atoms. In the fifth Zr site, Zr(5) is bonded in a 9-coordinate geometry to one Ge(2), one As(13), one As(5), two equivalent As(11), two equivalent As(16), and two equivalent As(8) atoms. In the sixth Zr site, Zr(6) is bonded in a 9-coordinate geometry to one Ge(3), one As(14), one As(6), two equivalent As(12), two equivalent As(17), and two equivalent As(9) atoms. In the seventh Zr site, Zr(7) is bonded in a 9-coordinate geometry to one As(15), one As(18), one As(9), two equivalent As(1), two equivalent As(14), and two equivalent As(4) atoms. In the eighth Zr site, Zr(8) is bonded in a 9-coordinate geometry to two equivalent Ge(4), one As(16), one As(19), one As(7), two equivalent As(2), and two equivalent As(5) atoms. In the ninth Zr site, Zr(9) is bonded in a 9-coordinate geometry to one As(17), one As(20), one As(8), two equivalent As(13), two equivalent As(3), and two equivalent As(6) atoms. In the tenth Zr site, Zr(10) is bonded in a 9-coordinate geometry to two equivalent Ge(1), one As(10), one As(15), one As(18), two equivalent As(1), and two equivalent As(4) atoms. In the eleventh Zr site, Zr(11) is bonded in a 9-coordinate geometry to two equivalent Ge(2), one As(11), one As(16), one As(19), two equivalent As(2), and two equivalent As(5) atoms. In the twelfth Zr site, Zr(12) is bonded in a 9-coordinate geometry to two equivalent Ge(3), one As(12), one As(17), one As(20), two equivalent As(3), and two equivalent As(6) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one Zr(1), one Zr(4), two equivalent Zr(10), two equivalent As(10), and two equivalent As(15) atoms to form a mixture of distorted corner and face-sharing GeZr4As4 hexagonal bipyramids. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to one Zr(2), one Zr(5), two equivalent Zr(11), two equivalent As(11), and two equivalent As(16) atoms. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to one Zr(3), one Zr(6), two equivalent Zr(12), two equivalent As(12), and two equivalent As(17) atoms. In the fourth Ge site, Ge(4) is bonded to one Zr(1), one Zr(4), two equivalent Zr(8), two equivalent As(19), and two equivalent As(7) atoms to form a mixture of distorted corner and face-sharing GeZr4As4 hexagonal bipyramids. There are twenty inequivalent As sites. In the first As site, As(1) is bonded in a 7-coordinate geometry to one Zr(3), two equivalent Zr(10), two equivalent Zr(7), and two equivalent As(18) atoms. In the second As site, As(2) is bonded in a 5-coordinate geometry to one Zr(1), two equivalent Zr(11), and two equivalent Zr(8) atoms. In the third As site, As(3) is bonded in a 7-coordinate geometry to one Zr(2), two equivalent Zr(12), two equivalent Zr(9), and two equivalent As(20) atoms. In the fourth As site, As(4) is bonded in a 5-coordinate geometry to one Zr(4), two equivalent Zr(10), and two equivalent Zr(7) atoms. In the fifth As site, As(5) is bonded in a 5-coordinate geometry to one Zr(5), two equivalent Zr(11), and two equivalent Zr(8) atoms. In the sixth As site, As(6) is bonded in a 5-coordinate geometry to one Zr(6), two equivalent Zr(12), and two equivalent Zr(9) atoms. In the seventh As site, As(7) is bonded in a 7-coordinate geometry to one Zr(8), two equivalent Zr(1), two equivalent Zr(4), and two equivalent Ge(4) atoms. In the eighth As site, As(8) is bonded in a 7-coordinate geometry to one Zr(9), two equivalent Zr(2), two equivalent Zr(5), and two equivalent As(13) atoms. In the ninth As site, As(9) is bonded in a 7-coordinate geometry to one Zr(7), two equivalent Zr(3), two equivalent Zr(6), and two equivalent As(14) atoms. In the tenth As site, As(10) is bonded in a 7-coordinate geometry to one Zr(10), two equivalent Zr(1), two equivalent Zr(4), and two equivalent Ge(1) atoms. In the eleventh As site, As(11) is bonded in a 7-coordinate geometry to one Zr(11), two equivalent Zr(2), two equivalent Zr(5), and two equivalent Ge(2) atoms. In the twelfth As site, As(12) is bonded in a 7-coordinate geometry to one Zr(12), two equivalent Zr(3), two equivalent Zr(6), and two equivalent Ge(3) atoms. In the thirteenth As site, As(13) is bonded in a 8-coordinate geometry to one Zr(2), one Zr(5), two equivalent Zr(9), two equivalent As(20), and two equivalent As(8) atoms. In the fourteenth As site, As(14) is bonded in a 8-coordinate geometry to one Zr(3), one Zr(6), two equivalent Zr(7), two equivalent As(18), and two equivalent As(9) atoms. In the fifteenth As site, As(15) is bonded in a 6-coordinate geometry to one Zr(10), one Zr(7), two equivalent Zr(4), and two equivalent Ge(1) atoms. In the sixteenth As site, As(16) is bonded in a 6-coordinate geometry to one Zr(11), one Zr(8), two equivalent Zr(5), and two equivalent Ge(2) atoms. In the seventeenth As site, As(17) is bonded in a 6-coordinate geometry to one Zr(12), one Zr(9), two equivalent Zr(6), and two equivalent Ge(3) atoms. In the eighteenth As site, As(18) is bonded in a 8-coordinate geometry to one Zr(10), one Zr(7), two equivalent Zr(3), two equivalent As(1), and two equivalent As(14) atoms. In the nineteenth As site, As(19) is bonded in a 6-coordinate geometry to one Zr(11), one Zr(8), two equivalent Zr(1), and two equivalent Ge(4) atoms. In the twentieth As site, As(20) is bonded in a 8-coordinate geometry to one Zr(12), one Zr(9), two equivalent Zr(2), two equivalent As(13), and two equivalent As(3) atoms. is represented by the CIF card [CIF]
data_Zr3GeAs5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.711
_cell_length_b   6.806
_cell_length_c   27.628
_cell_angle_alpha   89.991
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   697.834
_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  0.500  0.728  0.720  1.0
  Zr  Zr1  1  0.500  0.727  0.387  1.0
  Zr  Zr2  1  0.500  0.727  0.053  1.0
  Zr  Zr3  1  0.500  0.228  0.781  1.0
  Zr  Zr4  1  0.500  0.229  0.446  1.0
  Zr  Zr5  1  0.500  0.229  0.113  1.0
  Zr  Zr6  1  0.000  0.272  0.946  1.0
  Zr  Zr7  1  0.000  0.271  0.611  1.0
  Zr  Zr8  1  0.000  0.272  0.279  1.0
  Zr  Zr9  1  0.000  0.771  0.888  1.0
  Zr  Zr10  1  0.000  0.771  0.555  1.0
  Zr  Zr11  1  0.000  0.772  0.222  1.0
  Ge  Ge12  1  0.500  0.628  0.818  1.0
  Ge  Ge13  1  0.500  0.626  0.485  1.0
  Ge  Ge14  1  0.500  0.626  0.152  1.0
  Ge  Ge15  1  0.500  0.128  0.681  1.0
  As  As16  1  0.500  0.583  0.951  1.0
  As  As17  1  0.500  0.583  0.617  1.0
  As  As18  1  0.500  0.584  0.284  1.0
  As  As19  1  0.500  0.083  0.883  1.0
  As  As20  1  0.500  0.084  0.549  1.0
  As  As21  1  0.500  0.083  0.216  1.0
  As  As22  1  0.000  0.405  0.716  1.0
  As  As23  1  0.000  0.414  0.383  1.0
  As  As24  1  0.000  0.414  0.050  1.0
  As  As25  1  0.000  0.905  0.784  1.0
  As  As26  1  0.000  0.906  0.451  1.0
  As  As27  1  0.000  0.907  0.118  1.0
  As  As28  1  0.500  0.123  0.348  1.0
  As  As29  1  0.500  0.122  0.014  1.0
  As  As30  1  0.000  0.386  0.847  1.0
  As  As31  1  0.000  0.385  0.513  1.0
  As  As32  1  0.000  0.386  0.180  1.0
  As  As33  1  0.000  0.879  0.986  1.0
  As  As34  1  0.000  0.886  0.653  1.0
  As  As35  1  0.000  0.879  0.319  1.0
[/CIF]
.
The structure described by Zr3GeAs5 crystallizes in the monoclinic Pm space group. There are twelve inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 9-coordinate geometry to one Ge(1), one Ge(4), one As(2), two equivalent As(10), two equivalent As(19), and two equivalent As(7) atoms. In the second Zr site, Zr(2) is bonded in a 9-coordinate geometry to one Ge(2), one As(13), one As(3), two equivalent As(11), two equivalent As(20), and two equivalent As(8) atoms. In the third Zr site, Zr(3) is bonded in a 9-coordinate geometry to one Ge(3), one As(1), one As(14), two equivalent As(12), two equivalent As(18), and two equivalent As(9) atoms. In the fourth Zr site, Zr(4) is bonded in a 9-coordinate geometry to one Ge(1), one Ge(4), one As(4), two equivalent As(10), two equivalent As(15), and two equivalent As(7) atoms. In the fifth Zr site, Zr(5) is bonded in a 9-coordinate geometry to one Ge(2), one As(13), one As(5), two equivalent As(11), two equivalent As(16), and two equivalent As(8) atoms. In the sixth Zr site, Zr(6) is bonded in a 9-coordinate geometry to one Ge(3), one As(14), one As(6), two equivalent As(12), two equivalent As(17), and two equivalent As(9) atoms. In the seventh Zr site, Zr(7) is bonded in a 9-coordinate geometry to one As(15), one As(18), one As(9), two equivalent As(1), two equivalent As(14), and two equivalent As(4) atoms. In the eighth Zr site, Zr(8) is bonded in a 9-coordinate geometry to two equivalent Ge(4), one As(16), one As(19), one As(7), two equivalent As(2), and two equivalent As(5) atoms. In the ninth Zr site, Zr(9) is bonded in a 9-coordinate geometry to one As(17), one As(20), one As(8), two equivalent As(13), two equivalent As(3), and two equivalent As(6) atoms. In the tenth Zr site, Zr(10) is bonded in a 9-coordinate geometry to two equivalent Ge(1), one As(10), one As(15), one As(18), two equivalent As(1), and two equivalent As(4) atoms. In the eleventh Zr site, Zr(11) is bonded in a 9-coordinate geometry to two equivalent Ge(2), one As(11), one As(16), one As(19), two equivalent As(2), and two equivalent As(5) atoms. In the twelfth Zr site, Zr(12) is bonded in a 9-coordinate geometry to two equivalent Ge(3), one As(12), one As(17), one As(20), two equivalent As(3), and two equivalent As(6) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one Zr(1), one Zr(4), two equivalent Zr(10), two equivalent As(10), and two equivalent As(15) atoms to form a mixture of distorted corner and face-sharing GeZr4As4 hexagonal bipyramids. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to one Zr(2), one Zr(5), two equivalent Zr(11), two equivalent As(11), and two equivalent As(16) atoms. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to one Zr(3), one Zr(6), two equivalent Zr(12), two equivalent As(12), and two equivalent As(17) atoms. In the fourth Ge site, Ge(4) is bonded to one Zr(1), one Zr(4), two equivalent Zr(8), two equivalent As(19), and two equivalent As(7) atoms to form a mixture of distorted corner and face-sharing GeZr4As4 hexagonal bipyramids. There are twenty inequivalent As sites. In the first As site, As(1) is bonded in a 7-coordinate geometry to one Zr(3), two equivalent Zr(10), two equivalent Zr(7), and two equivalent As(18) atoms. In the second As site, As(2) is bonded in a 5-coordinate geometry to one Zr(1), two equivalent Zr(11), and two equivalent Zr(8) atoms. In the third As site, As(3) is bonded in a 7-coordinate geometry to one Zr(2), two equivalent Zr(12), two equivalent Zr(9), and two equivalent As(20) atoms. In the fourth As site, As(4) is bonded in a 5-coordinate geometry to one Zr(4), two equivalent Zr(10), and two equivalent Zr(7) atoms. In the fifth As site, As(5) is bonded in a 5-coordinate geometry to one Zr(5), two equivalent Zr(11), and two equivalent Zr(8) atoms. In the sixth As site, As(6) is bonded in a 5-coordinate geometry to one Zr(6), two equivalent Zr(12), and two equivalent Zr(9) atoms. In the seventh As site, As(7) is bonded in a 7-coordinate geometry to one Zr(8), two equivalent Zr(1), two equivalent Zr(4), and two equivalent Ge(4) atoms. In the eighth As site, As(8) is bonded in a 7-coordinate geometry to one Zr(9), two equivalent Zr(2), two equivalent Zr(5), and two equivalent As(13) atoms. In the ninth As site, As(9) is bonded in a 7-coordinate geometry to one Zr(7), two equivalent Zr(3), two equivalent Zr(6), and two equivalent As(14) atoms. In the tenth As site, As(10) is bonded in a 7-coordinate geometry to one Zr(10), two equivalent Zr(1), two equivalent Zr(4), and two equivalent Ge(1) atoms. In the eleventh As site, As(11) is bonded in a 7-coordinate geometry to one Zr(11), two equivalent Zr(2), two equivalent Zr(5), and two equivalent Ge(2) atoms. In the twelfth As site, As(12) is bonded in a 7-coordinate geometry to one Zr(12), two equivalent Zr(3), two equivalent Zr(6), and two equivalent Ge(3) atoms. In the thirteenth As site, As(13) is bonded in a 8-coordinate geometry to one Zr(2), one Zr(5), two equivalent Zr(9), two equivalent As(20), and two equivalent As(8) atoms. In the fourteenth As site, As(14) is bonded in a 8-coordinate geometry to one Zr(3), one Zr(6), two equivalent Zr(7), two equivalent As(18), and two equivalent As(9) atoms. In the fifteenth As site, As(15) is bonded in a 6-coordinate geometry to one Zr(10), one Zr(7), two equivalent Zr(4), and two equivalent Ge(1) atoms. In the sixteenth As site, As(16) is bonded in a 6-coordinate geometry to one Zr(11), one Zr(8), two equivalent Zr(5), and two equivalent Ge(2) atoms. In the seventeenth As site, As(17) is bonded in a 6-coordinate geometry to one Zr(12), one Zr(9), two equivalent Zr(6), and two equivalent Ge(3) atoms. In the eighteenth As site, As(18) is bonded in a 8-coordinate geometry to one Zr(10), one Zr(7), two equivalent Zr(3), two equivalent As(1), and two equivalent As(14) atoms. In the nineteenth As site, As(19) is bonded in a 6-coordinate geometry to one Zr(11), one Zr(8), two equivalent Zr(1), and two equivalent Ge(4) atoms. In the twentieth As site, As(20) is bonded in a 8-coordinate geometry to one Zr(12), one Zr(9), two equivalent Zr(2), two equivalent As(13), and two equivalent As(3) atoms. is represented by the CIF card [CIF]
data_Zr3GeAs5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.711
_cell_length_b   6.806
_cell_length_c   27.628
_cell_angle_alpha   89.991
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   697.834
_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  0.500  0.728  0.720  1.0
  Zr  Zr1  1  0.500  0.727  0.387  1.0
  Zr  Zr2  1  0.500  0.727  0.053  1.0
  Zr  Zr3  1  0.500  0.228  0.781  1.0
  Zr  Zr4  1  0.500  0.229  0.446  1.0
  Zr  Zr5  1  0.500  0.229  0.113  1.0
  Zr  Zr6  1  0.000  0.272  0.946  1.0
  Zr  Zr7  1  0.000  0.271  0.611  1.0
  Zr  Zr8  1  0.000  0.272  0.279  1.0
  Zr  Zr9  1  0.000  0.771  0.888  1.0
  Zr  Zr10  1  0.000  0.771  0.555  1.0
  Zr  Zr11  1  0.000  0.772  0.222  1.0
  Ge  Ge12  1  0.500  0.628  0.818  1.0
  Ge  Ge13  1  0.500  0.626  0.485  1.0
  Ge  Ge14  1  0.500  0.626  0.152  1.0
  Ge  Ge15  1  0.500  0.128  0.681  1.0
  As  As16  1  0.500  0.583  0.951  1.0
  As  As17  1  0.500  0.583  0.617  1.0
  As  As18  1  0.500  0.584  0.284  1.0
  As  As19  1  0.500  0.083  0.883  1.0
  As  As20  1  0.500  0.084  0.549  1.0
  As  As21  1  0.500  0.083  0.216  1.0
  As  As22  1  0.000  0.405  0.716  1.0
  As  As23  1  0.000  0.414  0.383  1.0
  As  As24  1  0.000  0.414  0.050  1.0
  As  As25  1  0.000  0.905  0.784  1.0
  As  As26  1  0.000  0.906  0.451  1.0
  As  As27  1  0.000  0.907  0.118  1.0
  As  As28  1  0.500  0.123  0.348  1.0
  As  As29  1  0.500  0.122  0.014  1.0
  As  As30  1  0.000  0.386  0.847  1.0
  As  As31  1  0.000  0.385  0.513  1.0
  As  As32  1  0.000  0.386  0.180  1.0
  As  As33  1  0.000  0.879  0.986  1.0
  As  As34  1  0.000  0.886  0.653  1.0
  As  As35  1  0.000  0.879  0.319  1.0
[/CIF]
.