The material described by PrZr3F15 crystallizes in the monoclinic C2/c space group. Pr(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(3), two equivalent F(5), and two equivalent F(6) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in an octahedral geometry to two equivalent F(6), two equivalent F(7), and two equivalent F(8) atoms. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to one F(2), one F(3), one F(4), one F(5), one F(7), one F(8), and two equivalent F(1) atoms. There are eight inequivalent F sites. In the first F site, F(6) is bonded in a bent 150 degrees geometry to one Pr(1) and one Zr(1) atom. In the second F site, F(7) is bonded in a distorted bent 150 degrees geometry to one Zr(1) and one Zr(2) atom. In the third F site, F(8) is bonded in a bent 150 degrees geometry to one Zr(1) and one Zr(2) atom. In the fourth F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Zr(2) atoms. In the fifth F site, F(2) is bonded in a bent 150 degrees geometry to one Pr(1) and one Zr(2) atom. In the sixth F site, F(3) is bonded in a bent 150 degrees geometry to one Pr(1) and one Zr(2) atom. In the seventh F site, F(4) is bonded in a linear geometry to two equivalent Zr(2) atoms. In the eighth F site, F(5) is bonded in a linear geometry to one Pr(1) and one Zr(2) atom. is represented by the CIF card [CIF]
data_PrZr3F15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.218
_cell_length_b   8.218
_cell_length_c   8.206
_cell_angle_alpha   79.646
_cell_angle_beta   79.646
_cell_angle_gamma   99.325
_symmetry_Int_Tables_number   1
_cell_volume   525.432
_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
  Pr  Pr0  1  0.177  0.823  0.250  1.0
  Pr  Pr1  1  0.823  0.177  0.750  1.0
  Zr  Zr2  1  0.756  0.244  0.250  1.0
  Zr  Zr3  1  0.244  0.756  0.750  1.0
  Zr  Zr4  1  0.738  0.678  0.674  1.0
  Zr  Zr5  1  0.322  0.262  0.826  1.0
  Zr  Zr6  1  0.262  0.322  0.326  1.0
  Zr  Zr7  1  0.678  0.738  0.174  1.0
  F  F8  1  0.318  0.353  0.056  1.0
  F  F9  1  0.931  0.802  0.143  1.0
  F  F10  1  0.841  0.471  0.684  1.0
  F  F11  1  0.471  0.841  0.184  1.0
  F  F12  1  0.802  0.931  0.643  1.0
  F  F13  1  0.353  0.318  0.556  1.0
  F  F14  1  0.682  0.647  0.944  1.0
  F  F15  1  0.069  0.198  0.857  1.0
  F  F16  1  0.159  0.529  0.316  1.0
  F  F17  1  0.529  0.159  0.816  1.0
  F  F18  1  0.198  0.069  0.357  1.0
  F  F19  1  0.647  0.682  0.444  1.0
  F  F20  1  0.469  0.531  0.250  1.0
  F  F21  1  0.746  0.943  0.975  1.0
  F  F22  1  0.057  0.254  0.525  1.0
  F  F23  1  0.254  0.057  0.025  1.0
  F  F24  1  0.943  0.746  0.475  1.0
  F  F25  1  0.531  0.469  0.750  1.0
  F  F26  1  0.767  0.285  0.001  1.0
  F  F27  1  0.008  0.269  0.224  1.0
  F  F28  1  0.775  0.501  0.222  1.0
  F  F29  1  0.501  0.775  0.722  1.0
  F  F30  1  0.269  0.008  0.724  1.0
  F  F31  1  0.285  0.767  0.501  1.0
  F  F32  1  0.233  0.715  0.999  1.0
  F  F33  1  0.992  0.731  0.776  1.0
  F  F34  1  0.225  0.499  0.778  1.0
  F  F35  1  0.499  0.225  0.278  1.0
  F  F36  1  0.731  0.992  0.276  1.0
  F  F37  1  0.715  0.233  0.499  1.0
[/CIF]
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The material described by PrZr3F15 crystallizes in the monoclinic C2/c space group. Pr(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(3), two equivalent F(5), and two equivalent F(6) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in an octahedral geometry to two equivalent F(6), two equivalent F(7), and two equivalent F(8) atoms. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to one F(2), one F(3), one F(4), one F(5), one F(7), one F(8), and two equivalent F(1) atoms. There are eight inequivalent F sites. In the first F site, F(6) is bonded in a bent 150 degrees geometry to one Pr(1) and one Zr(1) atom. In the second F site, F(7) is bonded in a distorted bent 150 degrees geometry to one Zr(1) and one Zr(2) atom. In the third F site, F(8) is bonded in a bent 150 degrees geometry to one Zr(1) and one Zr(2) atom. In the fourth F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Zr(2) atoms. In the fifth F site, F(2) is bonded in a bent 150 degrees geometry to one Pr(1) and one Zr(2) atom. In the sixth F site, F(3) is bonded in a bent 150 degrees geometry to one Pr(1) and one Zr(2) atom. In the seventh F site, F(4) is bonded in a linear geometry to two equivalent Zr(2) atoms. In the eighth F site, F(5) is bonded in a linear geometry to one Pr(1) and one Zr(2) atom. is represented by the CIF card [CIF]
data_PrZr3F15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.218
_cell_length_b   8.218
_cell_length_c   8.206
_cell_angle_alpha   79.646
_cell_angle_beta   79.646
_cell_angle_gamma   99.325
_symmetry_Int_Tables_number   1
_cell_volume   525.432
_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
  Pr  Pr0  1  0.177  0.823  0.250  1.0
  Pr  Pr1  1  0.823  0.177  0.750  1.0
  Zr  Zr2  1  0.756  0.244  0.250  1.0
  Zr  Zr3  1  0.244  0.756  0.750  1.0
  Zr  Zr4  1  0.738  0.678  0.674  1.0
  Zr  Zr5  1  0.322  0.262  0.826  1.0
  Zr  Zr6  1  0.262  0.322  0.326  1.0
  Zr  Zr7  1  0.678  0.738  0.174  1.0
  F  F8  1  0.318  0.353  0.056  1.0
  F  F9  1  0.931  0.802  0.143  1.0
  F  F10  1  0.841  0.471  0.684  1.0
  F  F11  1  0.471  0.841  0.184  1.0
  F  F12  1  0.802  0.931  0.643  1.0
  F  F13  1  0.353  0.318  0.556  1.0
  F  F14  1  0.682  0.647  0.944  1.0
  F  F15  1  0.069  0.198  0.857  1.0
  F  F16  1  0.159  0.529  0.316  1.0
  F  F17  1  0.529  0.159  0.816  1.0
  F  F18  1  0.198  0.069  0.357  1.0
  F  F19  1  0.647  0.682  0.444  1.0
  F  F20  1  0.469  0.531  0.250  1.0
  F  F21  1  0.746  0.943  0.975  1.0
  F  F22  1  0.057  0.254  0.525  1.0
  F  F23  1  0.254  0.057  0.025  1.0
  F  F24  1  0.943  0.746  0.475  1.0
  F  F25  1  0.531  0.469  0.750  1.0
  F  F26  1  0.767  0.285  0.001  1.0
  F  F27  1  0.008  0.269  0.224  1.0
  F  F28  1  0.775  0.501  0.222  1.0
  F  F29  1  0.501  0.775  0.722  1.0
  F  F30  1  0.269  0.008  0.724  1.0
  F  F31  1  0.285  0.767  0.501  1.0
  F  F32  1  0.233  0.715  0.999  1.0
  F  F33  1  0.992  0.731  0.776  1.0
  F  F34  1  0.225  0.499  0.778  1.0
  F  F35  1  0.499  0.225  0.278  1.0
  F  F36  1  0.731  0.992  0.276  1.0
  F  F37  1  0.715  0.233  0.499  1.0
[/CIF]
.