The crystal structure described by Zr3Rh crystallizes in the monoclinic C2 space group. There are seven inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted water-like geometry to one Rh(1) and one Rh(3) atom. In the second Zr site, Zr(2) is bonded in a distorted water-like geometry to one Rh(2) and one Rh(3) atom. In the third Zr site, Zr(3) is bonded in a 4-coordinate geometry to two equivalent Rh(1) and two equivalent Rh(3) atoms. In the fourth Zr site, Zr(4) is bonded in a 4-coordinate geometry to two equivalent Rh(2) and two equivalent Rh(3) atoms. In the fifth Zr site, Zr(5) is bonded in a 4-coordinate geometry to one Rh(1), one Rh(2), and two equivalent Rh(3) atoms. In the sixth Zr site, Zr(6) is bonded in a water-like geometry to one Rh(1) and one Rh(3) atom. In the seventh Zr site, Zr(7) is bonded in a water-like geometry to one Rh(2) and one Rh(3) atom. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 8-coordinate geometry to two equivalent Zr(1), two equivalent Zr(3), two equivalent Zr(5), and two equivalent Zr(6) atoms. In the second Rh site, Rh(2) is bonded in a 8-coordinate geometry to two equivalent Zr(2), two equivalent Zr(4), two equivalent Zr(5), and two equivalent Zr(7) atoms. In the third Rh site, Rh(3) is bonded in a 8-coordinate geometry to one Zr(1), one Zr(2), one Zr(3), one Zr(4), one Zr(6), one Zr(7), and two equivalent Zr(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.752
_cell_length_b   8.113
_cell_length_c   8.113
_cell_angle_alpha   82.759
_cell_angle_beta   69.199
_cell_angle_gamma   69.200
_symmetry_Int_Tables_number   1
_cell_volume   330.863
_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  0.666  0.192  0.000  1.0
  Zr  Zr1  1  0.859  0.808  0.000  1.0
  Zr  Zr2  1  0.140  1.000  0.192  1.0
  Zr  Zr3  1  0.334  1.000  0.808  1.0
  Zr  Zr4  1  0.000  0.355  0.645  1.0
  Zr  Zr5  1  1.000  0.646  0.355  1.0
  Zr  Zr6  1  0.645  0.355  0.354  1.0
  Zr  Zr7  1  0.355  0.645  0.645  1.0
  Zr  Zr8  1  0.047  0.409  1.000  1.0
  Zr  Zr9  1  0.457  0.591  1.000  1.0
  Zr  Zr10  1  0.543  0.000  0.409  1.0
  Zr  Zr11  1  0.953  0.000  0.591  1.0
  Rh  Rh12  1  0.500  0.294  0.706  1.0
  Rh  Rh13  1  0.500  0.707  0.294  1.0
  Rh  Rh14  1  0.206  0.294  0.293  1.0
  Rh  Rh15  1  0.794  0.706  0.707  1.0
[/CIF]
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The crystal structure described by Zr3Rh crystallizes in the monoclinic C2 space group. There are seven inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted water-like geometry to one Rh(1) and one Rh(3) atom. In the second Zr site, Zr(2) is bonded in a distorted water-like geometry to one Rh(2) and one Rh(3) atom. In the third Zr site, Zr(3) is bonded in a 4-coordinate geometry to two equivalent Rh(1) and two equivalent Rh(3) atoms. In the fourth Zr site, Zr(4) is bonded in a 4-coordinate geometry to two equivalent Rh(2) and two equivalent Rh(3) atoms. In the fifth Zr site, Zr(5) is bonded in a 4-coordinate geometry to one Rh(1), one Rh(2), and two equivalent Rh(3) atoms. In the sixth Zr site, Zr(6) is bonded in a water-like geometry to one Rh(1) and one Rh(3) atom. In the seventh Zr site, Zr(7) is bonded in a water-like geometry to one Rh(2) and one Rh(3) atom. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 8-coordinate geometry to two equivalent Zr(1), two equivalent Zr(3), two equivalent Zr(5), and two equivalent Zr(6) atoms. In the second Rh site, Rh(2) is bonded in a 8-coordinate geometry to two equivalent Zr(2), two equivalent Zr(4), two equivalent Zr(5), and two equivalent Zr(7) atoms. In the third Rh site, Rh(3) is bonded in a 8-coordinate geometry to one Zr(1), one Zr(2), one Zr(3), one Zr(4), one Zr(6), one Zr(7), and two equivalent Zr(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.752
_cell_length_b   8.113
_cell_length_c   8.113
_cell_angle_alpha   82.759
_cell_angle_beta   69.199
_cell_angle_gamma   69.200
_symmetry_Int_Tables_number   1
_cell_volume   330.863
_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  0.666  0.192  0.000  1.0
  Zr  Zr1  1  0.859  0.808  0.000  1.0
  Zr  Zr2  1  0.140  1.000  0.192  1.0
  Zr  Zr3  1  0.334  1.000  0.808  1.0
  Zr  Zr4  1  0.000  0.355  0.645  1.0
  Zr  Zr5  1  1.000  0.646  0.355  1.0
  Zr  Zr6  1  0.645  0.355  0.354  1.0
  Zr  Zr7  1  0.355  0.645  0.645  1.0
  Zr  Zr8  1  0.047  0.409  1.000  1.0
  Zr  Zr9  1  0.457  0.591  1.000  1.0
  Zr  Zr10  1  0.543  0.000  0.409  1.0
  Zr  Zr11  1  0.953  0.000  0.591  1.0
  Rh  Rh12  1  0.500  0.294  0.706  1.0
  Rh  Rh13  1  0.500  0.707  0.294  1.0
  Rh  Rh14  1  0.206  0.294  0.293  1.0
  Rh  Rh15  1  0.794  0.706  0.707  1.0
[/CIF]
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