The material described by SrCrO4 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. Cr(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Cr(1), and one O(4) atom to form distorted edge-sharing OSr2CrO trigonal pyramids. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sr(1), one Cr(1), and one O(1) atom. is represented by the CIF card [CIF]
data_SrCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.912
_cell_length_b   7.314
_cell_length_c   7.429
_cell_angle_alpha   85.366
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   428.538
_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  0.558  0.224  0.132  1.0
  Sr  Sr1  1  0.058  0.276  0.868  1.0
  Sr  Sr2  1  0.442  0.776  0.868  1.0
  Sr  Sr3  1  0.942  0.724  0.132  1.0
  Cr  Cr4  1  0.546  0.249  0.680  1.0
  Cr  Cr5  1  0.046  0.251  0.320  1.0
  Cr  Cr6  1  0.454  0.751  0.320  1.0
  Cr  Cr7  1  0.954  0.749  0.680  1.0
  O  O8  1  0.548  0.445  0.834  1.0
  O  O9  1  0.048  0.055  0.166  1.0
  O  O10  1  0.452  0.555  0.166  1.0
  O  O11  1  0.952  0.945  0.834  1.0
  O  O12  1  0.587  0.239  0.460  1.0
  O  O13  1  0.087  0.261  0.540  1.0
  O  O14  1  0.413  0.761  0.540  1.0
  O  O15  1  0.913  0.739  0.460  1.0
  O  O16  1  0.602  0.060  0.829  1.0
  O  O17  1  0.102  0.440  0.171  1.0
  O  O18  1  0.398  0.940  0.171  1.0
  O  O19  1  0.898  0.560  0.829  1.0
  O  O20  1  0.875  0.138  0.179  1.0
  O  O21  1  0.375  0.362  0.821  1.0
  O  O22  1  0.125  0.862  0.821  1.0
  O  O23  1  0.625  0.638  0.179  1.0
[/CIF]
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The material described by SrCrO4 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. Cr(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Cr(1), and one O(4) atom to form distorted edge-sharing OSr2CrO trigonal pyramids. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sr(1), one Cr(1), and one O(1) atom. is represented by the CIF card [CIF]
data_SrCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.912
_cell_length_b   7.314
_cell_length_c   7.429
_cell_angle_alpha   85.366
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   428.538
_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  0.558  0.224  0.132  1.0
  Sr  Sr1  1  0.058  0.276  0.868  1.0
  Sr  Sr2  1  0.442  0.776  0.868  1.0
  Sr  Sr3  1  0.942  0.724  0.132  1.0
  Cr  Cr4  1  0.546  0.249  0.680  1.0
  Cr  Cr5  1  0.046  0.251  0.320  1.0
  Cr  Cr6  1  0.454  0.751  0.320  1.0
  Cr  Cr7  1  0.954  0.749  0.680  1.0
  O  O8  1  0.548  0.445  0.834  1.0
  O  O9  1  0.048  0.055  0.166  1.0
  O  O10  1  0.452  0.555  0.166  1.0
  O  O11  1  0.952  0.945  0.834  1.0
  O  O12  1  0.587  0.239  0.460  1.0
  O  O13  1  0.087  0.261  0.540  1.0
  O  O14  1  0.413  0.761  0.540  1.0
  O  O15  1  0.913  0.739  0.460  1.0
  O  O16  1  0.602  0.060  0.829  1.0
  O  O17  1  0.102  0.440  0.171  1.0
  O  O18  1  0.398  0.940  0.171  1.0
  O  O19  1  0.898  0.560  0.829  1.0
  O  O20  1  0.875  0.138  0.179  1.0
  O  O21  1  0.375  0.362  0.821  1.0
  O  O22  1  0.125  0.862  0.821  1.0
  O  O23  1  0.625  0.638  0.179  1.0
[/CIF]
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