The material described by Sr3Cr2O8 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one O(2), one O(4), one O(6), two equivalent O(3), two equivalent O(5), and three equivalent O(8) atoms. In the third Sr site, Sr(3) is bonded in a 10-coordinate geometry to one O(1), one O(3), one O(5), two equivalent O(4), two equivalent O(6), and three equivalent O(7) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(5), and one O(7) atom. In the second Cr site, Cr(2) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(3) and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(2) and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(3), two equivalent Sr(2), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), two equivalent Sr(3), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(3), two equivalent Sr(2), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), two equivalent Sr(3), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Sr(1), three equivalent Sr(3), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Sr(1), three equivalent Sr(2), and one Cr(2) atom. is represented by the CIF file [CIF]
data_Sr3Cr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.652
_cell_length_b   5.655
_cell_length_c   7.516
_cell_angle_alpha   68.025
_cell_angle_beta   67.986
_cell_angle_gamma   60.198
_symmetry_Int_Tables_number   1
_cell_volume   187.932
_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
  Cr  Cr0  1  0.594  0.594  0.217  1.0
  Cr  Cr1  1  0.406  0.406  0.783  1.0
  O  O2  1  0.323  0.324  0.034  1.0
  O  O3  1  0.678  0.677  0.966  1.0
  O  O4  1  0.268  0.767  0.696  1.0
  O  O5  1  0.269  0.269  0.695  1.0
  O  O6  1  0.767  0.268  0.696  1.0
  O  O7  1  0.233  0.732  0.304  1.0
  O  O8  1  0.732  0.233  0.304  1.0
  O  O9  1  0.731  0.731  0.305  1.0
  Sr  Sr10  1  1.000  1.000  1.000  1.0
  Sr  Sr11  1  0.797  0.797  0.608  1.0
  Sr  Sr12  1  0.203  0.203  0.392  1.0
[/CIF]
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The material described by Sr3Cr2O8 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one O(2), one O(4), one O(6), two equivalent O(3), two equivalent O(5), and three equivalent O(8) atoms. In the third Sr site, Sr(3) is bonded in a 10-coordinate geometry to one O(1), one O(3), one O(5), two equivalent O(4), two equivalent O(6), and three equivalent O(7) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(5), and one O(7) atom. In the second Cr site, Cr(2) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(3) and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(2) and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(3), two equivalent Sr(2), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), two equivalent Sr(3), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(3), two equivalent Sr(2), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), two equivalent Sr(3), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Sr(1), three equivalent Sr(3), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Sr(1), three equivalent Sr(2), and one Cr(2) atom. is represented by the CIF file [CIF]
data_Sr3Cr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.652
_cell_length_b   5.655
_cell_length_c   7.516
_cell_angle_alpha   68.025
_cell_angle_beta   67.986
_cell_angle_gamma   60.198
_symmetry_Int_Tables_number   1
_cell_volume   187.932
_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
  Cr  Cr0  1  0.594  0.594  0.217  1.0
  Cr  Cr1  1  0.406  0.406  0.783  1.0
  O  O2  1  0.323  0.324  0.034  1.0
  O  O3  1  0.678  0.677  0.966  1.0
  O  O4  1  0.268  0.767  0.696  1.0
  O  O5  1  0.269  0.269  0.695  1.0
  O  O6  1  0.767  0.268  0.696  1.0
  O  O7  1  0.233  0.732  0.304  1.0
  O  O8  1  0.732  0.233  0.304  1.0
  O  O9  1  0.731  0.731  0.305  1.0
  Sr  Sr10  1  1.000  1.000  1.000  1.0
  Sr  Sr11  1  0.797  0.797  0.608  1.0
  Sr  Sr12  1  0.203  0.203  0.392  1.0
[/CIF]
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