The material described by Ba3Er2PtCu2O10 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(1), and four equivalent O(3) atoms. Er(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(3), and four equivalent O(2) atoms. Pt(1) is bonded in an octahedral geometry to two equivalent O(1) and four equivalent O(3) atoms. Cu(1) is bonded in a 4-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ba(2), one Er(1), one Pt(1), and one Cu(1) atom to form a mixture of distorted corner, edge, and face-sharing OBa3ErCuPt octahedra. The corner-sharing octahedral tilt angles range from 0-70°. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), two equivalent Er(1), and one Cu(1) atom. In the third O site, O(3) is bonded to one Ba(1), two equivalent Ba(2), one Er(1), one Pt(1), and one Cu(1) atom to form a mixture of distorted corner, edge, and face-sharing OBa3ErCuPt octahedra. The corner-sharing octahedral tilt angles range from 0-74°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Er2Cu2PtO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.920
_cell_length_b   6.920
_cell_length_c   7.499
_cell_angle_alpha   75.753
_cell_angle_beta   75.753
_cell_angle_gamma   50.081
_symmetry_Int_Tables_number   1
_cell_volume   265.068
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.154  0.154  0.455  1.0
  Ba  Ba2  1  0.846  0.846  0.545  1.0
  Er  Er3  1  0.311  0.311  0.874  1.0
  Er  Er4  1  0.689  0.689  0.126  1.0
  Cu  Cu5  1  0.411  0.411  0.197  1.0
  Cu  Cu6  1  0.589  0.589  0.803  1.0
  Pt  Pt7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.332  0.332  0.556  1.0
  O  O9  1  0.668  0.668  0.444  1.0
  O  O10  1  0.912  0.456  0.877  1.0
  O  O11  1  0.544  0.088  0.123  1.0
  O  O12  1  0.088  0.544  0.123  1.0
  O  O13  1  0.456  0.912  0.877  1.0
  O  O14  1  0.738  0.298  0.280  1.0
  O  O15  1  0.702  0.262  0.720  1.0
  O  O16  1  0.298  0.738  0.280  1.0
  O  O17  1  0.262  0.702  0.720  1.0
[/CIF]
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The material described by Ba3Er2PtCu2O10 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(1), and four equivalent O(3) atoms. Er(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(3), and four equivalent O(2) atoms. Pt(1) is bonded in an octahedral geometry to two equivalent O(1) and four equivalent O(3) atoms. Cu(1) is bonded in a 4-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ba(2), one Er(1), one Pt(1), and one Cu(1) atom to form a mixture of distorted corner, edge, and face-sharing OBa3ErCuPt octahedra. The corner-sharing octahedral tilt angles range from 0-70°. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), two equivalent Er(1), and one Cu(1) atom. In the third O site, O(3) is bonded to one Ba(1), two equivalent Ba(2), one Er(1), one Pt(1), and one Cu(1) atom to form a mixture of distorted corner, edge, and face-sharing OBa3ErCuPt octahedra. The corner-sharing octahedral tilt angles range from 0-74°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Er2Cu2PtO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.920
_cell_length_b   6.920
_cell_length_c   7.499
_cell_angle_alpha   75.753
_cell_angle_beta   75.753
_cell_angle_gamma   50.081
_symmetry_Int_Tables_number   1
_cell_volume   265.068
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.154  0.154  0.455  1.0
  Ba  Ba2  1  0.846  0.846  0.545  1.0
  Er  Er3  1  0.311  0.311  0.874  1.0
  Er  Er4  1  0.689  0.689  0.126  1.0
  Cu  Cu5  1  0.411  0.411  0.197  1.0
  Cu  Cu6  1  0.589  0.589  0.803  1.0
  Pt  Pt7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.332  0.332  0.556  1.0
  O  O9  1  0.668  0.668  0.444  1.0
  O  O10  1  0.912  0.456  0.877  1.0
  O  O11  1  0.544  0.088  0.123  1.0
  O  O12  1  0.088  0.544  0.123  1.0
  O  O13  1  0.456  0.912  0.877  1.0
  O  O14  1  0.738  0.298  0.280  1.0
  O  O15  1  0.702  0.262  0.720  1.0
  O  O16  1  0.298  0.738  0.280  1.0
  O  O17  1  0.262  0.702  0.720  1.0
[/CIF]
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