The material described by MgPr2V4O12 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(6), one O(8), and one O(9) atom. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(5), and one O(8) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 19-31°. In the second V site, V(2) is bonded to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 20-33°. In the third V site, V(3) is bonded to one O(11), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 20-34°. In the fourth V site, V(4) is bonded to one O(10), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 19-34°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one Pr(2), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Pr(1), one V(1), and one V(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Pr(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Pr(2), one V(1), and one V(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Pr(2), one V(3), and one V(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Pr(1), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one Pr(2), one V(1), and one V(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Pr(2), one V(2), and one V(3) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Mg(1), one Pr(1), one Pr(2), one V(1), and one V(4) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Mg(1), one Pr(1), one Pr(2), one V(2), and one V(3) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Pr(1), one V(1), and one V(2) atom. is represented by the CIF card [CIF]
data_Pr2MgV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.364
_cell_length_b   5.500
_cell_length_c   7.588
_cell_angle_alpha   90.051
_cell_angle_beta   90.724
_cell_angle_gamma   90.631
_symmetry_Int_Tables_number   1
_cell_volume   223.841
_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
  Pr  Pr0  1  0.009  0.960  0.750  1.0
  Pr  Pr1  1  0.513  0.543  0.245  1.0
  Mg  Mg2  1  0.981  0.056  0.256  1.0
  V  V3  1  0.001  0.499  0.992  1.0
  V  V4  1  0.013  0.496  0.500  1.0
  V  V5  1  0.502  0.012  0.503  1.0
  V  V6  1  0.491  0.008  1.000  1.0
  O  O7  1  0.079  0.459  0.245  1.0
  O  O8  1  0.231  0.215  0.963  1.0
  O  O9  1  0.199  0.199  0.532  1.0
  O  O10  1  0.273  0.706  0.532  1.0
  O  O11  1  0.282  0.723  0.966  1.0
  O  O12  1  0.390  0.987  0.255  1.0
  O  O13  1  0.568  0.004  0.741  1.0
  O  O14  1  0.736  0.263  0.059  1.0
  O  O15  1  0.723  0.288  0.452  1.0
  O  O16  1  0.791  0.795  0.052  1.0
  O  O17  1  0.797  0.807  0.441  1.0
  O  O18  1  0.928  0.505  0.757  1.0
[/CIF]
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The material described by MgPr2V4O12 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(6), one O(8), and one O(9) atom. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(5), and one O(8) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 19-31°. In the second V site, V(2) is bonded to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 20-33°. In the third V site, V(3) is bonded to one O(11), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 20-34°. In the fourth V site, V(4) is bonded to one O(10), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 19-34°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one Pr(2), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Pr(1), one V(1), and one V(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Pr(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Pr(2), one V(1), and one V(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Pr(2), one V(3), and one V(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Pr(1), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one Pr(2), one V(1), and one V(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Pr(2), one V(2), and one V(3) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Mg(1), one Pr(1), one Pr(2), one V(1), and one V(4) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Mg(1), one Pr(1), one Pr(2), one V(2), and one V(3) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Pr(1), one V(1), and one V(2) atom. is represented by the CIF card [CIF]
data_Pr2MgV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.364
_cell_length_b   5.500
_cell_length_c   7.588
_cell_angle_alpha   90.051
_cell_angle_beta   90.724
_cell_angle_gamma   90.631
_symmetry_Int_Tables_number   1
_cell_volume   223.841
_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
  Pr  Pr0  1  0.009  0.960  0.750  1.0
  Pr  Pr1  1  0.513  0.543  0.245  1.0
  Mg  Mg2  1  0.981  0.056  0.256  1.0
  V  V3  1  0.001  0.499  0.992  1.0
  V  V4  1  0.013  0.496  0.500  1.0
  V  V5  1  0.502  0.012  0.503  1.0
  V  V6  1  0.491  0.008  1.000  1.0
  O  O7  1  0.079  0.459  0.245  1.0
  O  O8  1  0.231  0.215  0.963  1.0
  O  O9  1  0.199  0.199  0.532  1.0
  O  O10  1  0.273  0.706  0.532  1.0
  O  O11  1  0.282  0.723  0.966  1.0
  O  O12  1  0.390  0.987  0.255  1.0
  O  O13  1  0.568  0.004  0.741  1.0
  O  O14  1  0.736  0.263  0.059  1.0
  O  O15  1  0.723  0.288  0.452  1.0
  O  O16  1  0.791  0.795  0.052  1.0
  O  O17  1  0.797  0.807  0.441  1.0
  O  O18  1  0.928  0.505  0.757  1.0
[/CIF]
.