The crystal structure described by Pb2Sr2HoCu3O8 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. Ho(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing CuO5 square pyramids. Pb(1) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Ho(1), and two equivalent Cu(2) atoms to form distorted OSr2Ho2Cu2 octahedra that share corners with four equivalent O(1)Sr2Ho2Cu2 octahedra, corners with four equivalent O(4)Sr4CuPb octahedra, faces with two equivalent O(1)Sr2Ho2Cu2 octahedra, and faces with two equivalent O(4)Sr4CuPb octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Ho(1), and two equivalent Cu(2) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one Cu(1), and two equivalent Pb(1) atoms. In the fourth O site, O(4) is bonded to four equivalent Sr(1), one Cu(2), and one Pb(1) atom to form distorted OSr4CuPb octahedra that share corners with four equivalent O(1)Sr2Ho2Cu2 octahedra, corners with four equivalent O(4)Sr4CuPb octahedra, edges with four equivalent O(4)Sr4CuPb octahedra, and faces with two equivalent O(1)Sr2Ho2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 20-53°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2HoCu3(PbO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.455
_cell_length_b   5.422
_cell_length_c   15.930
_cell_angle_alpha   89.507
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   471.094
_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
  Sr  Sr0  1  0.001  0.994  0.220  1.0
  Sr  Sr1  1  0.999  0.006  0.780  1.0
  Sr  Sr2  1  0.501  0.506  0.780  1.0
  Sr  Sr3  1  0.499  0.494  0.220  1.0
  Ho  Ho4  1  0.000  0.000  0.000  1.0
  Ho  Ho5  1  0.500  0.500  0.000  1.0
  Cu  Cu6  1  0.500  0.500  0.500  1.0
  Cu  Cu7  1  0.501  0.998  0.103  1.0
  Cu  Cu8  1  0.001  0.502  0.897  1.0
  Cu  Cu9  1  0.999  0.498  0.103  1.0
  Cu  Cu10  1  0.000  0.000  0.500  1.0
  Cu  Cu11  1  0.499  0.002  0.897  1.0
  Pb  Pb12  1  0.495  0.004  0.388  1.0
  Pb  Pb13  1  0.505  0.996  0.612  1.0
  Pb  Pb14  1  0.995  0.496  0.612  1.0
  Pb  Pb15  1  0.005  0.504  0.388  1.0
  O  O16  1  0.750  0.752  0.908  1.0
  O  O17  1  0.250  0.248  0.092  1.0
  O  O18  1  0.250  0.252  0.910  1.0
  O  O19  1  0.750  0.748  0.090  1.0
  O  O20  1  0.250  0.752  0.910  1.0
  O  O21  1  0.750  0.248  0.090  1.0
  O  O22  1  0.750  0.252  0.908  1.0
  O  O23  1  0.250  0.748  0.092  1.0
  O  O24  1  0.558  0.547  0.615  1.0
  O  O25  1  0.442  0.453  0.385  1.0
  O  O26  1  0.991  0.493  0.251  1.0
  O  O27  1  0.058  0.953  0.385  1.0
  O  O28  1  0.491  0.007  0.749  1.0
  O  O29  1  0.509  0.993  0.251  1.0
  O  O30  1  0.009  0.507  0.749  1.0
  O  O31  1  0.942  0.047  0.615  1.0
[/CIF]
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The crystal structure described by Pb2Sr2HoCu3O8 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. Ho(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing CuO5 square pyramids. Pb(1) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Ho(1), and two equivalent Cu(2) atoms to form distorted OSr2Ho2Cu2 octahedra that share corners with four equivalent O(1)Sr2Ho2Cu2 octahedra, corners with four equivalent O(4)Sr4CuPb octahedra, faces with two equivalent O(1)Sr2Ho2Cu2 octahedra, and faces with two equivalent O(4)Sr4CuPb octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Ho(1), and two equivalent Cu(2) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one Cu(1), and two equivalent Pb(1) atoms. In the fourth O site, O(4) is bonded to four equivalent Sr(1), one Cu(2), and one Pb(1) atom to form distorted OSr4CuPb octahedra that share corners with four equivalent O(1)Sr2Ho2Cu2 octahedra, corners with four equivalent O(4)Sr4CuPb octahedra, edges with four equivalent O(4)Sr4CuPb octahedra, and faces with two equivalent O(1)Sr2Ho2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 20-53°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2HoCu3(PbO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.455
_cell_length_b   5.422
_cell_length_c   15.930
_cell_angle_alpha   89.507
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   471.094
_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
  Sr  Sr0  1  0.001  0.994  0.220  1.0
  Sr  Sr1  1  0.999  0.006  0.780  1.0
  Sr  Sr2  1  0.501  0.506  0.780  1.0
  Sr  Sr3  1  0.499  0.494  0.220  1.0
  Ho  Ho4  1  0.000  0.000  0.000  1.0
  Ho  Ho5  1  0.500  0.500  0.000  1.0
  Cu  Cu6  1  0.500  0.500  0.500  1.0
  Cu  Cu7  1  0.501  0.998  0.103  1.0
  Cu  Cu8  1  0.001  0.502  0.897  1.0
  Cu  Cu9  1  0.999  0.498  0.103  1.0
  Cu  Cu10  1  0.000  0.000  0.500  1.0
  Cu  Cu11  1  0.499  0.002  0.897  1.0
  Pb  Pb12  1  0.495  0.004  0.388  1.0
  Pb  Pb13  1  0.505  0.996  0.612  1.0
  Pb  Pb14  1  0.995  0.496  0.612  1.0
  Pb  Pb15  1  0.005  0.504  0.388  1.0
  O  O16  1  0.750  0.752  0.908  1.0
  O  O17  1  0.250  0.248  0.092  1.0
  O  O18  1  0.250  0.252  0.910  1.0
  O  O19  1  0.750  0.748  0.090  1.0
  O  O20  1  0.250  0.752  0.910  1.0
  O  O21  1  0.750  0.248  0.090  1.0
  O  O22  1  0.750  0.252  0.908  1.0
  O  O23  1  0.250  0.748  0.092  1.0
  O  O24  1  0.558  0.547  0.615  1.0
  O  O25  1  0.442  0.453  0.385  1.0
  O  O26  1  0.991  0.493  0.251  1.0
  O  O27  1  0.058  0.953  0.385  1.0
  O  O28  1  0.491  0.007  0.749  1.0
  O  O29  1  0.509  0.993  0.251  1.0
  O  O30  1  0.009  0.507  0.749  1.0
  O  O31  1  0.942  0.047  0.615  1.0
[/CIF]
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