The structure described by SrCe2O4 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(4), and three equivalent O(2) atoms. In the second Ce site, Ce(2) is bonded to one O(4), two equivalent O(1), and three equivalent O(3) atoms to form edge-sharing CeO6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ce(1), and two equivalent Ce(2) atoms. In the second O site, O(2) is bonded to two equivalent Sr(1) and three equivalent Ce(1) atoms to form distorted OSr2Ce3 square pyramids that share corners with four equivalent O(3)Sr2Ce4 octahedra, corners with six equivalent O(4)Sr2Ce3 trigonal bipyramids, edges with four equivalent O(2)Sr2Ce3 square pyramids, edges with two equivalent O(4)Sr2Ce3 trigonal bipyramids, and  a faceface with one O(3)Sr2Ce4 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. In the third O site, O(3) is bonded to two equivalent Sr(1), one Ce(1), and three equivalent Ce(2) atoms to form distorted OSr2Ce4 octahedra that share corners with four equivalent O(2)Sr2Ce3 square pyramids, corners with three equivalent O(4)Sr2Ce3 trigonal bipyramids, edges with four equivalent O(3)Sr2Ce4 octahedra, edges with three equivalent O(4)Sr2Ce3 trigonal bipyramids, and  a faceface with one O(2)Sr2Ce3 square pyramid. In the fourth O site, O(4) is bonded to two equivalent Sr(1), one Ce(2), and two equivalent Ce(1) atoms to form distorted OSr2Ce3 trigonal bipyramids that share corners with three equivalent O(3)Sr2Ce4 octahedra, corners with six equivalent O(2)Sr2Ce3 square pyramids, edges with three equivalent O(3)Sr2Ce4 octahedra, edges with two equivalent O(2)Sr2Ce3 square pyramids, and edges with two equivalent O(4)Sr2Ce3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-33°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCe2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.581
_cell_length_b   10.219
_cell_length_c   12.309
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   450.442
_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
  Sr  Sr0  1  0.250  0.249  0.146  1.0
  Sr  Sr1  1  0.750  0.251  0.646  1.0
  Sr  Sr2  1  0.250  0.749  0.354  1.0
  Sr  Sr3  1  0.750  0.751  0.854  1.0
  Ce  Ce4  1  0.750  0.091  0.892  1.0
  Ce  Ce5  1  0.750  0.074  0.385  1.0
  Ce  Ce6  1  0.250  0.426  0.885  1.0
  Ce  Ce7  1  0.250  0.409  0.392  1.0
  Ce  Ce8  1  0.750  0.591  0.608  1.0
  Ce  Ce9  1  0.750  0.574  0.115  1.0
  Ce  Ce10  1  0.250  0.926  0.615  1.0
  Ce  Ce11  1  0.250  0.909  0.108  1.0
  O  O12  1  0.750  0.999  0.714  1.0
  O  O13  1  0.750  0.067  0.083  1.0
  O  O14  1  0.250  0.135  0.514  1.0
  O  O15  1  0.250  0.221  0.807  1.0
  O  O16  1  0.750  0.279  0.307  1.0
  O  O17  1  0.750  0.365  0.014  1.0
  O  O18  1  0.250  0.433  0.583  1.0
  O  O19  1  0.250  0.501  0.214  1.0
  O  O20  1  0.750  0.499  0.786  1.0
  O  O21  1  0.750  0.567  0.417  1.0
  O  O22  1  0.250  0.635  0.986  1.0
  O  O23  1  0.250  0.721  0.693  1.0
  O  O24  1  0.750  0.779  0.193  1.0
  O  O25  1  0.750  0.865  0.486  1.0
  O  O26  1  0.250  0.933  0.917  1.0
  O  O27  1  0.250  0.001  0.286  1.0
[/CIF]
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The structure described by SrCe2O4 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(4), and three equivalent O(2) atoms. In the second Ce site, Ce(2) is bonded to one O(4), two equivalent O(1), and three equivalent O(3) atoms to form edge-sharing CeO6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ce(1), and two equivalent Ce(2) atoms. In the second O site, O(2) is bonded to two equivalent Sr(1) and three equivalent Ce(1) atoms to form distorted OSr2Ce3 square pyramids that share corners with four equivalent O(3)Sr2Ce4 octahedra, corners with six equivalent O(4)Sr2Ce3 trigonal bipyramids, edges with four equivalent O(2)Sr2Ce3 square pyramids, edges with two equivalent O(4)Sr2Ce3 trigonal bipyramids, and  a faceface with one O(3)Sr2Ce4 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. In the third O site, O(3) is bonded to two equivalent Sr(1), one Ce(1), and three equivalent Ce(2) atoms to form distorted OSr2Ce4 octahedra that share corners with four equivalent O(2)Sr2Ce3 square pyramids, corners with three equivalent O(4)Sr2Ce3 trigonal bipyramids, edges with four equivalent O(3)Sr2Ce4 octahedra, edges with three equivalent O(4)Sr2Ce3 trigonal bipyramids, and  a faceface with one O(2)Sr2Ce3 square pyramid. In the fourth O site, O(4) is bonded to two equivalent Sr(1), one Ce(2), and two equivalent Ce(1) atoms to form distorted OSr2Ce3 trigonal bipyramids that share corners with three equivalent O(3)Sr2Ce4 octahedra, corners with six equivalent O(2)Sr2Ce3 square pyramids, edges with three equivalent O(3)Sr2Ce4 octahedra, edges with two equivalent O(2)Sr2Ce3 square pyramids, and edges with two equivalent O(4)Sr2Ce3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-33°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCe2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.581
_cell_length_b   10.219
_cell_length_c   12.309
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   450.442
_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
  Sr  Sr0  1  0.250  0.249  0.146  1.0
  Sr  Sr1  1  0.750  0.251  0.646  1.0
  Sr  Sr2  1  0.250  0.749  0.354  1.0
  Sr  Sr3  1  0.750  0.751  0.854  1.0
  Ce  Ce4  1  0.750  0.091  0.892  1.0
  Ce  Ce5  1  0.750  0.074  0.385  1.0
  Ce  Ce6  1  0.250  0.426  0.885  1.0
  Ce  Ce7  1  0.250  0.409  0.392  1.0
  Ce  Ce8  1  0.750  0.591  0.608  1.0
  Ce  Ce9  1  0.750  0.574  0.115  1.0
  Ce  Ce10  1  0.250  0.926  0.615  1.0
  Ce  Ce11  1  0.250  0.909  0.108  1.0
  O  O12  1  0.750  0.999  0.714  1.0
  O  O13  1  0.750  0.067  0.083  1.0
  O  O14  1  0.250  0.135  0.514  1.0
  O  O15  1  0.250  0.221  0.807  1.0
  O  O16  1  0.750  0.279  0.307  1.0
  O  O17  1  0.750  0.365  0.014  1.0
  O  O18  1  0.250  0.433  0.583  1.0
  O  O19  1  0.250  0.501  0.214  1.0
  O  O20  1  0.750  0.499  0.786  1.0
  O  O21  1  0.750  0.567  0.417  1.0
  O  O22  1  0.250  0.635  0.986  1.0
  O  O23  1  0.250  0.721  0.693  1.0
  O  O24  1  0.750  0.779  0.193  1.0
  O  O25  1  0.750  0.865  0.486  1.0
  O  O26  1  0.250  0.933  0.917  1.0
  O  O27  1  0.250  0.001  0.286  1.0
[/CIF]
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