The material described by BaAgCuAlO5 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Ag(1) is bonded to one O(5), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing AgO5 trigonal bipyramids. Cu(1) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), and two equivalent O(3) atoms. Al(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ag(1), one Cu(1), and one Al(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Ag(1), and one Al(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Cu(1), and one Al(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Cu(1), and one Al(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ag(1), and one Cu(1) atom. is represented by the CIF file [CIF]
data_BaAlCuAgO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.931
_cell_length_b   4.524
_cell_length_c   7.320
_cell_angle_alpha   87.491
_cell_angle_beta   72.310
_cell_angle_gamma   88.717
_symmetry_Int_Tables_number   1
_cell_volume   123.924
_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  0.981  0.011  0.992  1.0
  Al  Al1  1  0.972  0.131  0.461  1.0
  Cu  Cu2  1  0.396  0.513  0.263  1.0
  Ag  Ag3  1  0.559  0.530  0.701  1.0
  O  O4  1  0.192  0.440  0.533  1.0
  O  O5  1  0.648  0.016  0.678  1.0
  O  O6  1  0.864  0.388  0.283  1.0
  O  O7  1  0.308  0.946  0.283  1.0
  O  O8  1  0.580  0.524  0.994  1.0
[/CIF]
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The material described by BaAgCuAlO5 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Ag(1) is bonded to one O(5), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing AgO5 trigonal bipyramids. Cu(1) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), and two equivalent O(3) atoms. Al(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ag(1), one Cu(1), and one Al(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Ag(1), and one Al(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Cu(1), and one Al(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Cu(1), and one Al(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ag(1), and one Cu(1) atom. is represented by the CIF file [CIF]
data_BaAlCuAgO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.931
_cell_length_b   4.524
_cell_length_c   7.320
_cell_angle_alpha   87.491
_cell_angle_beta   72.310
_cell_angle_gamma   88.717
_symmetry_Int_Tables_number   1
_cell_volume   123.924
_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  0.981  0.011  0.992  1.0
  Al  Al1  1  0.972  0.131  0.461  1.0
  Cu  Cu2  1  0.396  0.513  0.263  1.0
  Ag  Ag3  1  0.559  0.530  0.701  1.0
  O  O4  1  0.192  0.440  0.533  1.0
  O  O5  1  0.648  0.016  0.678  1.0
  O  O6  1  0.864  0.388  0.283  1.0
  O  O7  1  0.308  0.946  0.283  1.0
  O  O8  1  0.580  0.524  0.994  1.0
[/CIF]
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