The material described by ZrPb3F10 crystallizes in the orthorhombic Cmcm space group. Zr(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), and four equivalent F(4) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. In the second Pb site, Pb(2) is bonded in a body-centered cubic geometry to four equivalent F(3) and four equivalent F(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Pb(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Zr(1) and two equivalent Pb(1) atoms. In the third F site, F(3) is bonded to two equivalent Pb(1) and two equivalent Pb(2) atoms to form a mixture of corner and edge-sharing FPb4 tetrahedra. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Zr(1), one Pb(1), and one Pb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrPb3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.260
_cell_length_b   8.260
_cell_length_c   6.013
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   100.794
_symmetry_Int_Tables_number   1
_cell_volume   402.986
_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
  Zr  Zr0  1  0.818  0.182  0.250  1.0
  Zr  Zr1  1  0.182  0.818  0.750  1.0
  Pb  Pb2  1  0.109  0.321  0.750  1.0
  Pb  Pb3  1  0.891  0.679  0.250  1.0
  Pb  Pb4  1  0.321  0.109  0.250  1.0
  Pb  Pb5  1  0.679  0.891  0.750  1.0
  Pb  Pb6  1  0.389  0.611  0.250  1.0
  Pb  Pb7  1  0.611  0.389  0.750  1.0
  F  F8  1  0.922  0.742  0.750  1.0
  F  F9  1  0.078  0.258  0.250  1.0
  F  F10  1  0.742  0.922  0.250  1.0
  F  F11  1  0.258  0.078  0.750  1.0
  F  F12  1  0.899  0.101  0.546  1.0
  F  F13  1  0.101  0.899  0.046  1.0
  F  F14  1  0.101  0.899  0.454  1.0
  F  F15  1  0.899  0.101  0.954  1.0
  F  F16  1  0.636  0.636  0.000  1.0
  F  F17  1  0.364  0.364  0.500  1.0
  F  F18  1  0.364  0.364  0.000  1.0
  F  F19  1  0.636  0.636  0.500  1.0
  F  F20  1  0.396  0.847  0.961  1.0
  F  F21  1  0.604  0.153  0.461  1.0
  F  F22  1  0.847  0.396  0.039  1.0
  F  F23  1  0.153  0.604  0.539  1.0
  F  F24  1  0.604  0.153  0.039  1.0
  F  F25  1  0.396  0.847  0.539  1.0
  F  F26  1  0.153  0.604  0.961  1.0
  F  F27  1  0.847  0.396  0.461  1.0
[/CIF]
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The material described by ZrPb3F10 crystallizes in the orthorhombic Cmcm space group. Zr(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), and four equivalent F(4) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. In the second Pb site, Pb(2) is bonded in a body-centered cubic geometry to four equivalent F(3) and four equivalent F(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Pb(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Zr(1) and two equivalent Pb(1) atoms. In the third F site, F(3) is bonded to two equivalent Pb(1) and two equivalent Pb(2) atoms to form a mixture of corner and edge-sharing FPb4 tetrahedra. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Zr(1), one Pb(1), and one Pb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrPb3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.260
_cell_length_b   8.260
_cell_length_c   6.013
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   100.794
_symmetry_Int_Tables_number   1
_cell_volume   402.986
_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
  Zr  Zr0  1  0.818  0.182  0.250  1.0
  Zr  Zr1  1  0.182  0.818  0.750  1.0
  Pb  Pb2  1  0.109  0.321  0.750  1.0
  Pb  Pb3  1  0.891  0.679  0.250  1.0
  Pb  Pb4  1  0.321  0.109  0.250  1.0
  Pb  Pb5  1  0.679  0.891  0.750  1.0
  Pb  Pb6  1  0.389  0.611  0.250  1.0
  Pb  Pb7  1  0.611  0.389  0.750  1.0
  F  F8  1  0.922  0.742  0.750  1.0
  F  F9  1  0.078  0.258  0.250  1.0
  F  F10  1  0.742  0.922  0.250  1.0
  F  F11  1  0.258  0.078  0.750  1.0
  F  F12  1  0.899  0.101  0.546  1.0
  F  F13  1  0.101  0.899  0.046  1.0
  F  F14  1  0.101  0.899  0.454  1.0
  F  F15  1  0.899  0.101  0.954  1.0
  F  F16  1  0.636  0.636  0.000  1.0
  F  F17  1  0.364  0.364  0.500  1.0
  F  F18  1  0.364  0.364  0.000  1.0
  F  F19  1  0.636  0.636  0.500  1.0
  F  F20  1  0.396  0.847  0.961  1.0
  F  F21  1  0.604  0.153  0.461  1.0
  F  F22  1  0.847  0.396  0.039  1.0
  F  F23  1  0.153  0.604  0.539  1.0
  F  F24  1  0.604  0.153  0.039  1.0
  F  F25  1  0.396  0.847  0.539  1.0
  F  F26  1  0.153  0.604  0.961  1.0
  F  F27  1  0.847  0.396  0.461  1.0
[/CIF]
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