The crystal structure described by HfTi4(PbO3)5 crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a 6-coordinate geometry to one O(10), one O(9), two equivalent O(1), and two equivalent O(5) atoms. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one O(9), two equivalent O(4), and two equivalent O(5) atoms. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(3), and two equivalent O(4) atoms. In the third Ti site, Ti(3) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(2), and two equivalent O(3) atoms. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one O(10), one O(6), two equivalent O(1), and two equivalent O(2) atoms. There are five inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(5) atoms. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(4), and two equivalent O(5) atoms. In the third Pb site, Pb(3) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. In the fourth Pb site, Pb(4) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. In the fifth Pb site, Pb(5) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(10), and two equivalent O(2) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Hf(1), one Ti(4), one Pb(1), and one Pb(5) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ti(3), one Ti(4), one Pb(4), and one Pb(5) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ti(2), one Ti(3), one Pb(3), and one Pb(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ti(1), one Ti(2), one Pb(2), and one Pb(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Hf(1), one Ti(1), one Pb(1), and one Pb(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Ti(4) and one Pb(5) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Ti(3) and one Pb(2) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Ti(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Hf(1) and one Ti(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Hf(1), one Ti(4), and two equivalent Pb(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfTi4(PbO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.554
_cell_length_b   11.983
_cell_length_c   5.980
_cell_angle_alpha   98.506
_cell_angle_beta   62.330
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   347.542
_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
  Hf  Hf0  1  0.692  0.905  0.615  1.0
  Ti  Ti1  1  0.301  0.104  0.397  1.0
  Ti  Ti2  1  0.896  0.304  0.208  1.0
  Ti  Ti3  1  0.495  0.500  0.011  1.0
  Ti  Ti4  1  0.087  0.703  0.827  1.0
  Pb  Pb5  1  0.014  0.993  0.973  1.0
  Pb  Pb6  1  0.619  0.201  0.763  1.0
  Pb  Pb7  1  0.216  0.395  0.568  1.0
  Pb  Pb8  1  0.814  0.593  0.372  1.0
  Pb  Pb9  1  0.409  0.784  0.182  1.0
  O  O10  1  0.345  0.820  0.798  1.0
  O  O11  1  0.750  0.619  0.995  1.0
  O  O12  1  0.155  0.423  0.193  1.0
  O  O13  1  0.558  0.223  0.384  1.0
  O  O14  1  0.967  0.027  0.583  1.0
  O  O15  1  0.856  0.820  0.798  1.0
  O  O16  1  0.255  0.619  0.995  1.0
  O  O17  1  0.652  0.423  0.193  1.0
  O  O18  1  0.058  0.223  0.384  1.0
  O  O19  1  0.450  0.027  0.583  1.0
  O  O20  1  0.244  0.626  0.511  1.0
  O  O21  1  0.650  0.421  0.700  1.0
  O  O22  1  0.052  0.229  0.896  1.0
  O  O23  1  0.459  0.025  0.082  1.0
  O  O24  1  0.862  0.815  0.277  1.0
[/CIF]
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The crystal structure described by HfTi4(PbO3)5 crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a 6-coordinate geometry to one O(10), one O(9), two equivalent O(1), and two equivalent O(5) atoms. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one O(9), two equivalent O(4), and two equivalent O(5) atoms. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(3), and two equivalent O(4) atoms. In the third Ti site, Ti(3) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(2), and two equivalent O(3) atoms. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one O(10), one O(6), two equivalent O(1), and two equivalent O(2) atoms. There are five inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(5) atoms. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(4), and two equivalent O(5) atoms. In the third Pb site, Pb(3) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. In the fourth Pb site, Pb(4) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. In the fifth Pb site, Pb(5) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(10), and two equivalent O(2) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Hf(1), one Ti(4), one Pb(1), and one Pb(5) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ti(3), one Ti(4), one Pb(4), and one Pb(5) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ti(2), one Ti(3), one Pb(3), and one Pb(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ti(1), one Ti(2), one Pb(2), and one Pb(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Hf(1), one Ti(1), one Pb(1), and one Pb(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Ti(4) and one Pb(5) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Ti(3) and one Pb(2) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Ti(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Hf(1) and one Ti(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Hf(1), one Ti(4), and two equivalent Pb(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfTi4(PbO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.554
_cell_length_b   11.983
_cell_length_c   5.980
_cell_angle_alpha   98.506
_cell_angle_beta   62.330
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   347.542
_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
  Hf  Hf0  1  0.692  0.905  0.615  1.0
  Ti  Ti1  1  0.301  0.104  0.397  1.0
  Ti  Ti2  1  0.896  0.304  0.208  1.0
  Ti  Ti3  1  0.495  0.500  0.011  1.0
  Ti  Ti4  1  0.087  0.703  0.827  1.0
  Pb  Pb5  1  0.014  0.993  0.973  1.0
  Pb  Pb6  1  0.619  0.201  0.763  1.0
  Pb  Pb7  1  0.216  0.395  0.568  1.0
  Pb  Pb8  1  0.814  0.593  0.372  1.0
  Pb  Pb9  1  0.409  0.784  0.182  1.0
  O  O10  1  0.345  0.820  0.798  1.0
  O  O11  1  0.750  0.619  0.995  1.0
  O  O12  1  0.155  0.423  0.193  1.0
  O  O13  1  0.558  0.223  0.384  1.0
  O  O14  1  0.967  0.027  0.583  1.0
  O  O15  1  0.856  0.820  0.798  1.0
  O  O16  1  0.255  0.619  0.995  1.0
  O  O17  1  0.652  0.423  0.193  1.0
  O  O18  1  0.058  0.223  0.384  1.0
  O  O19  1  0.450  0.027  0.583  1.0
  O  O20  1  0.244  0.626  0.511  1.0
  O  O21  1  0.650  0.421  0.700  1.0
  O  O22  1  0.052  0.229  0.896  1.0
  O  O23  1  0.459  0.025  0.082  1.0
  O  O24  1  0.862  0.815  0.277  1.0
[/CIF]
.