The material structure described by BaPtO7 crystallizes in the monoclinic P2_1/m space group. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(4) atoms. Pt(1) is bonded in an octahedral geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Pt(1) and two equivalent O(3) atoms. In the second O site, O(2) is bonded to three equivalent Ba(1) and one Pt(1) atom to form a mixture of distorted edge and corner-sharing OBa3Pt trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Pt(1), and one O(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Pt(1), and one O(5) atom. In the fifth O site, O(5) is bonded in a water-like geometry to two equivalent O(4) atoms. is represented by the CIF card [CIF]
data_BaPtO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.978
_cell_length_b   6.780
_cell_length_c   7.979
_cell_angle_alpha   74.716
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   259.754
_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
  Ba  Ba0  1  0.750  0.250  0.560  1.0
  Ba  Ba1  1  0.250  0.750  0.440  1.0
  Pt  Pt2  1  0.750  0.649  0.810  1.0
  Pt  Pt3  1  0.250  0.351  0.190  1.0
  O  O4  1  0.750  0.645  0.086  1.0
  O  O5  1  0.250  0.355  0.914  1.0
  O  O6  1  0.750  0.678  0.557  1.0
  O  O7  1  0.250  0.322  0.443  1.0
  O  O8  1  0.013  0.417  0.807  1.0
  O  O9  1  0.513  0.583  0.193  1.0
  O  O10  1  0.987  0.583  0.193  1.0
  O  O11  1  0.487  0.417  0.807  1.0
  O  O12  1  0.017  0.888  0.759  1.0
  O  O13  1  0.517  0.112  0.241  1.0
  O  O14  1  0.983  0.112  0.241  1.0
  O  O15  1  0.483  0.888  0.759  1.0
  O  O16  1  0.750  0.122  0.132  1.0
  O  O17  1  0.250  0.878  0.868  1.0
[/CIF]
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The material structure described by BaPtO7 crystallizes in the monoclinic P2_1/m space group. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(4) atoms. Pt(1) is bonded in an octahedral geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Pt(1) and two equivalent O(3) atoms. In the second O site, O(2) is bonded to three equivalent Ba(1) and one Pt(1) atom to form a mixture of distorted edge and corner-sharing OBa3Pt trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Pt(1), and one O(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Pt(1), and one O(5) atom. In the fifth O site, O(5) is bonded in a water-like geometry to two equivalent O(4) atoms. is represented by the CIF card [CIF]
data_BaPtO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.978
_cell_length_b   6.780
_cell_length_c   7.979
_cell_angle_alpha   74.716
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   259.754
_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
  Ba  Ba0  1  0.750  0.250  0.560  1.0
  Ba  Ba1  1  0.250  0.750  0.440  1.0
  Pt  Pt2  1  0.750  0.649  0.810  1.0
  Pt  Pt3  1  0.250  0.351  0.190  1.0
  O  O4  1  0.750  0.645  0.086  1.0
  O  O5  1  0.250  0.355  0.914  1.0
  O  O6  1  0.750  0.678  0.557  1.0
  O  O7  1  0.250  0.322  0.443  1.0
  O  O8  1  0.013  0.417  0.807  1.0
  O  O9  1  0.513  0.583  0.193  1.0
  O  O10  1  0.987  0.583  0.193  1.0
  O  O11  1  0.487  0.417  0.807  1.0
  O  O12  1  0.017  0.888  0.759  1.0
  O  O13  1  0.517  0.112  0.241  1.0
  O  O14  1  0.983  0.112  0.241  1.0
  O  O15  1  0.483  0.888  0.759  1.0
  O  O16  1  0.750  0.122  0.132  1.0
  O  O17  1  0.250  0.878  0.868  1.0
[/CIF]
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