The material described by Lu2PdO4 crystallizes in the orthorhombic Cmce space group. Lu(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Pd(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Lu(1) atoms to form OLu4 tetrahedra that share corners with four equivalent O(1)Lu4 tetrahedra, corners with eight equivalent O(2)Lu2Pd2 tetrahedra, and edges with four equivalent O(1)Lu4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Lu(1) and two equivalent Pd(1) atoms to form distorted OLu2Pd2 tetrahedra that share corners with six equivalent O(2)Lu2Pd2 tetrahedra, corners with eight equivalent O(1)Lu4 tetrahedra, and  an edgeedge with one O(2)Lu2Pd2 tetrahedra. is represented by the CIF file [CIF]
data_Lu2PdO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.450
_cell_length_b   6.450
_cell_length_c   5.531
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   129.190
_symmetry_Int_Tables_number   1
_cell_volume   178.362
_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
  Lu  Lu0  1  0.662  0.338  0.000  1.0
  Lu  Lu1  1  0.838  0.162  0.500  1.0
  Lu  Lu2  1  0.338  0.662  0.000  1.0
  Lu  Lu3  1  0.162  0.838  0.500  1.0
  Pd  Pd4  1  0.000  0.000  0.000  1.0
  Pd  Pd5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.491  0.991  0.250  1.0
  O  O7  1  0.009  0.509  0.750  1.0
  O  O8  1  0.509  0.009  0.750  1.0
  O  O9  1  0.991  0.491  0.250  1.0
  O  O10  1  0.832  0.832  0.332  1.0
  O  O11  1  0.332  0.332  0.168  1.0
  O  O12  1  0.668  0.668  0.832  1.0
  O  O13  1  0.168  0.168  0.668  1.0
[/CIF]
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The material described by Lu2PdO4 crystallizes in the orthorhombic Cmce space group. Lu(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Pd(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Lu(1) atoms to form OLu4 tetrahedra that share corners with four equivalent O(1)Lu4 tetrahedra, corners with eight equivalent O(2)Lu2Pd2 tetrahedra, and edges with four equivalent O(1)Lu4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Lu(1) and two equivalent Pd(1) atoms to form distorted OLu2Pd2 tetrahedra that share corners with six equivalent O(2)Lu2Pd2 tetrahedra, corners with eight equivalent O(1)Lu4 tetrahedra, and  an edgeedge with one O(2)Lu2Pd2 tetrahedra. is represented by the CIF file [CIF]
data_Lu2PdO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.450
_cell_length_b   6.450
_cell_length_c   5.531
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   129.190
_symmetry_Int_Tables_number   1
_cell_volume   178.362
_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
  Lu  Lu0  1  0.662  0.338  0.000  1.0
  Lu  Lu1  1  0.838  0.162  0.500  1.0
  Lu  Lu2  1  0.338  0.662  0.000  1.0
  Lu  Lu3  1  0.162  0.838  0.500  1.0
  Pd  Pd4  1  0.000  0.000  0.000  1.0
  Pd  Pd5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.491  0.991  0.250  1.0
  O  O7  1  0.009  0.509  0.750  1.0
  O  O8  1  0.509  0.009  0.750  1.0
  O  O9  1  0.991  0.491  0.250  1.0
  O  O10  1  0.832  0.832  0.332  1.0
  O  O11  1  0.332  0.332  0.168  1.0
  O  O12  1  0.668  0.668  0.832  1.0
  O  O13  1  0.168  0.168  0.668  1.0
[/CIF]
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