The material described by SrCrO4 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Cr(1) is bonded in a tetrahedral 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 in a 3-coordinate geometry to two equivalent Sr(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent 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 linear geometry to one Sr(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_SrCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.340
_cell_length_b   7.071
_cell_length_c   7.343
_cell_angle_alpha   87.886
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   432.710
_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  0.954  0.242  0.170  1.0
  Sr  Sr1  1  0.454  0.258  0.830  1.0
  Sr  Sr2  1  0.046  0.758  0.830  1.0
  Sr  Sr3  1  0.546  0.742  0.170  1.0
  Cr  Cr4  1  0.499  0.716  0.722  1.0
  Cr  Cr5  1  0.501  0.284  0.278  1.0
  Cr  Cr6  1  0.001  0.216  0.722  1.0
  Cr  Cr7  1  0.999  0.784  0.278  1.0
  O  O8  1  0.475  0.083  0.171  1.0
  O  O9  1  0.525  0.917  0.829  1.0
  O  O10  1  0.135  0.936  0.194  1.0
  O  O11  1  0.822  0.878  0.210  1.0
  O  O12  1  0.975  0.417  0.829  1.0
  O  O13  1  0.493  0.259  0.501  1.0
  O  O14  1  0.865  0.064  0.806  1.0
  O  O15  1  0.322  0.622  0.790  1.0
  O  O16  1  0.025  0.583  0.171  1.0
  O  O17  1  0.507  0.741  0.499  1.0
  O  O18  1  0.007  0.759  0.501  1.0
  O  O19  1  0.635  0.564  0.806  1.0
  O  O20  1  0.365  0.436  0.194  1.0
  O  O21  1  0.678  0.378  0.210  1.0
  O  O22  1  0.178  0.122  0.790  1.0
  O  O23  1  0.993  0.241  0.499  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 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Cr(1) is bonded in a tetrahedral 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 in a 3-coordinate geometry to two equivalent Sr(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent 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 linear geometry to one Sr(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_SrCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.340
_cell_length_b   7.071
_cell_length_c   7.343
_cell_angle_alpha   87.886
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   432.710
_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  0.954  0.242  0.170  1.0
  Sr  Sr1  1  0.454  0.258  0.830  1.0
  Sr  Sr2  1  0.046  0.758  0.830  1.0
  Sr  Sr3  1  0.546  0.742  0.170  1.0
  Cr  Cr4  1  0.499  0.716  0.722  1.0
  Cr  Cr5  1  0.501  0.284  0.278  1.0
  Cr  Cr6  1  0.001  0.216  0.722  1.0
  Cr  Cr7  1  0.999  0.784  0.278  1.0
  O  O8  1  0.475  0.083  0.171  1.0
  O  O9  1  0.525  0.917  0.829  1.0
  O  O10  1  0.135  0.936  0.194  1.0
  O  O11  1  0.822  0.878  0.210  1.0
  O  O12  1  0.975  0.417  0.829  1.0
  O  O13  1  0.493  0.259  0.501  1.0
  O  O14  1  0.865  0.064  0.806  1.0
  O  O15  1  0.322  0.622  0.790  1.0
  O  O16  1  0.025  0.583  0.171  1.0
  O  O17  1  0.507  0.741  0.499  1.0
  O  O18  1  0.007  0.759  0.501  1.0
  O  O19  1  0.635  0.564  0.806  1.0
  O  O20  1  0.365  0.436  0.194  1.0
  O  O21  1  0.678  0.378  0.210  1.0
  O  O22  1  0.178  0.122  0.790  1.0
  O  O23  1  0.993  0.241  0.499  1.0
[/CIF]
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