The material described by Pr2SiTeO4 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to four equivalent Te(1), two equivalent O(2), and four equivalent O(1) atoms. In the second Pr site, Pr(2) is bonded in a 6-coordinate geometry to three equivalent Te(1), two equivalent O(1), and four equivalent O(2) atoms. Si(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. Te(1) is bonded in a 7-coordinate geometry to three equivalent Pr(2) and four equivalent Pr(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Pr(2), two equivalent Pr(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Pr(1), two equivalent Pr(2), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2SiTeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.365
_cell_length_b   7.255
_cell_length_c   11.279
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   520.866
_cell_formula_units_Z   4
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  0.388  0.750  0.500  1.0
  Pr  Pr1  1  0.388  0.750  0.000  1.0
  Pr  Pr2  1  0.612  0.250  0.500  1.0
  Pr  Pr3  1  0.612  0.250  0.000  1.0
  Pr  Pr4  1  0.888  0.540  0.750  1.0
  Pr  Pr5  1  0.888  0.960  0.250  1.0
  Pr  Pr6  1  0.112  0.040  0.750  1.0
  Pr  Pr7  1  0.112  0.460  0.250  1.0
  Si  Si8  1  0.114  0.250  0.000  1.0
  Si  Si9  1  0.886  0.750  0.000  1.0
  Si  Si10  1  0.886  0.750  0.500  1.0
  Si  Si11  1  0.114  0.250  0.500  1.0
  Te  Te12  1  0.598  0.925  0.750  1.0
  Te  Te13  1  0.598  0.575  0.250  1.0
  Te  Te14  1  0.402  0.425  0.750  1.0
  Te  Te15  1  0.402  0.075  0.250  1.0
  O  O16  1  0.267  0.421  0.036  1.0
  O  O17  1  0.267  0.079  0.964  1.0
  O  O18  1  0.733  0.921  0.464  1.0
  O  O19  1  0.733  0.579  0.536  1.0
  O  O20  1  0.733  0.579  0.964  1.0
  O  O21  1  0.733  0.921  0.036  1.0
  O  O22  1  0.267  0.079  0.536  1.0
  O  O23  1  0.267  0.421  0.464  1.0
  O  O24  1  0.046  0.729  0.114  1.0
  O  O25  1  0.046  0.729  0.386  1.0
  O  O26  1  0.954  0.229  0.386  1.0
  O  O27  1  0.954  0.271  0.614  1.0
  O  O28  1  0.954  0.271  0.886  1.0
  O  O29  1  0.954  0.229  0.114  1.0
  O  O30  1  0.046  0.771  0.614  1.0
  O  O31  1  0.046  0.771  0.886  1.0
[/CIF]
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The material described by Pr2SiTeO4 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to four equivalent Te(1), two equivalent O(2), and four equivalent O(1) atoms. In the second Pr site, Pr(2) is bonded in a 6-coordinate geometry to three equivalent Te(1), two equivalent O(1), and four equivalent O(2) atoms. Si(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. Te(1) is bonded in a 7-coordinate geometry to three equivalent Pr(2) and four equivalent Pr(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Pr(2), two equivalent Pr(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Pr(1), two equivalent Pr(2), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2SiTeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.365
_cell_length_b   7.255
_cell_length_c   11.279
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   520.866
_cell_formula_units_Z   4
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  0.388  0.750  0.500  1.0
  Pr  Pr1  1  0.388  0.750  0.000  1.0
  Pr  Pr2  1  0.612  0.250  0.500  1.0
  Pr  Pr3  1  0.612  0.250  0.000  1.0
  Pr  Pr4  1  0.888  0.540  0.750  1.0
  Pr  Pr5  1  0.888  0.960  0.250  1.0
  Pr  Pr6  1  0.112  0.040  0.750  1.0
  Pr  Pr7  1  0.112  0.460  0.250  1.0
  Si  Si8  1  0.114  0.250  0.000  1.0
  Si  Si9  1  0.886  0.750  0.000  1.0
  Si  Si10  1  0.886  0.750  0.500  1.0
  Si  Si11  1  0.114  0.250  0.500  1.0
  Te  Te12  1  0.598  0.925  0.750  1.0
  Te  Te13  1  0.598  0.575  0.250  1.0
  Te  Te14  1  0.402  0.425  0.750  1.0
  Te  Te15  1  0.402  0.075  0.250  1.0
  O  O16  1  0.267  0.421  0.036  1.0
  O  O17  1  0.267  0.079  0.964  1.0
  O  O18  1  0.733  0.921  0.464  1.0
  O  O19  1  0.733  0.579  0.536  1.0
  O  O20  1  0.733  0.579  0.964  1.0
  O  O21  1  0.733  0.921  0.036  1.0
  O  O22  1  0.267  0.079  0.536  1.0
  O  O23  1  0.267  0.421  0.464  1.0
  O  O24  1  0.046  0.729  0.114  1.0
  O  O25  1  0.046  0.729  0.386  1.0
  O  O26  1  0.954  0.229  0.386  1.0
  O  O27  1  0.954  0.271  0.614  1.0
  O  O28  1  0.954  0.271  0.886  1.0
  O  O29  1  0.954  0.229  0.114  1.0
  O  O30  1  0.046  0.771  0.614  1.0
  O  O31  1  0.046  0.771  0.886  1.0
[/CIF]
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