The material structure described by Sr5(CrO4)3Cl crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), four equivalent O(2), and two equivalent Cl(1) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Cr(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one Cr(1) atom. Cl(1) is bonded to six equivalent Sr(1) atoms to form face-sharing ClSr6 octahedra. is represented by the CIF card [CIF]
data_Sr5Cr3ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.307
_cell_length_b   10.307
_cell_length_c   7.375
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   678.511
_cell_formula_units_Z   2
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  0.001  0.748  0.750  1.0
  Sr  Sr1  1  0.333  0.667  0.501  1.0
  Sr  Sr2  1  0.748  0.747  0.250  1.0
  Sr  Sr3  1  0.667  0.333  0.499  1.0
  Sr  Sr4  1  0.253  0.001  0.250  1.0
  Sr  Sr5  1  0.252  0.253  0.750  1.0
  Sr  Sr6  1  0.999  0.252  0.250  1.0
  Sr  Sr7  1  0.667  0.333  0.001  1.0
  Sr  Sr8  1  0.747  0.999  0.750  1.0
  Sr  Sr9  1  0.333  0.667  0.999  1.0
  Cr  Cr10  1  0.032  0.406  0.750  1.0
  Cr  Cr11  1  0.374  0.968  0.750  1.0
  Cr  Cr12  1  0.594  0.626  0.750  1.0
  Cr  Cr13  1  0.968  0.594  0.250  1.0
  Cr  Cr14  1  0.626  0.032  0.250  1.0
  Cr  Cr15  1  0.406  0.374  0.250  1.0
  Cl  Cl16  1  0.000  0.000  0.500  1.0
  Cl  Cl17  1  0.000  0.000  0.000  1.0
  O  O18  1  0.161  0.680  0.250  1.0
  O  O19  1  0.740  0.097  0.442  1.0
  O  O20  1  0.097  0.357  0.558  1.0
  O  O21  1  0.260  0.903  0.942  1.0
  O  O22  1  0.131  0.600  0.750  1.0
  O  O23  1  0.260  0.903  0.558  1.0
  O  O24  1  0.519  0.839  0.250  1.0
  O  O25  1  0.481  0.161  0.750  1.0
  O  O26  1  0.643  0.740  0.558  1.0
  O  O27  1  0.400  0.531  0.750  1.0
  O  O28  1  0.320  0.481  0.250  1.0
  O  O29  1  0.357  0.260  0.442  1.0
  O  O30  1  0.903  0.643  0.058  1.0
  O  O31  1  0.839  0.320  0.750  1.0
  O  O32  1  0.869  0.400  0.250  1.0
  O  O33  1  0.097  0.357  0.942  1.0
  O  O34  1  0.903  0.643  0.442  1.0
  O  O35  1  0.600  0.469  0.250  1.0
  O  O36  1  0.357  0.260  0.058  1.0
  O  O37  1  0.680  0.519  0.750  1.0
  O  O38  1  0.643  0.740  0.942  1.0
  O  O39  1  0.740  0.097  0.058  1.0
  O  O40  1  0.469  0.869  0.750  1.0
  O  O41  1  0.531  0.131  0.250  1.0
[/CIF]
.
The material structure described by Sr5(CrO4)3Cl crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), four equivalent O(2), and two equivalent Cl(1) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Cr(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one Cr(1) atom. Cl(1) is bonded to six equivalent Sr(1) atoms to form face-sharing ClSr6 octahedra. is represented by the CIF card [CIF]
data_Sr5Cr3ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.307
_cell_length_b   10.307
_cell_length_c   7.375
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   678.511
_cell_formula_units_Z   2
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  0.001  0.748  0.750  1.0
  Sr  Sr1  1  0.333  0.667  0.501  1.0
  Sr  Sr2  1  0.748  0.747  0.250  1.0
  Sr  Sr3  1  0.667  0.333  0.499  1.0
  Sr  Sr4  1  0.253  0.001  0.250  1.0
  Sr  Sr5  1  0.252  0.253  0.750  1.0
  Sr  Sr6  1  0.999  0.252  0.250  1.0
  Sr  Sr7  1  0.667  0.333  0.001  1.0
  Sr  Sr8  1  0.747  0.999  0.750  1.0
  Sr  Sr9  1  0.333  0.667  0.999  1.0
  Cr  Cr10  1  0.032  0.406  0.750  1.0
  Cr  Cr11  1  0.374  0.968  0.750  1.0
  Cr  Cr12  1  0.594  0.626  0.750  1.0
  Cr  Cr13  1  0.968  0.594  0.250  1.0
  Cr  Cr14  1  0.626  0.032  0.250  1.0
  Cr  Cr15  1  0.406  0.374  0.250  1.0
  Cl  Cl16  1  0.000  0.000  0.500  1.0
  Cl  Cl17  1  0.000  0.000  0.000  1.0
  O  O18  1  0.161  0.680  0.250  1.0
  O  O19  1  0.740  0.097  0.442  1.0
  O  O20  1  0.097  0.357  0.558  1.0
  O  O21  1  0.260  0.903  0.942  1.0
  O  O22  1  0.131  0.600  0.750  1.0
  O  O23  1  0.260  0.903  0.558  1.0
  O  O24  1  0.519  0.839  0.250  1.0
  O  O25  1  0.481  0.161  0.750  1.0
  O  O26  1  0.643  0.740  0.558  1.0
  O  O27  1  0.400  0.531  0.750  1.0
  O  O28  1  0.320  0.481  0.250  1.0
  O  O29  1  0.357  0.260  0.442  1.0
  O  O30  1  0.903  0.643  0.058  1.0
  O  O31  1  0.839  0.320  0.750  1.0
  O  O32  1  0.869  0.400  0.250  1.0
  O  O33  1  0.097  0.357  0.942  1.0
  O  O34  1  0.903  0.643  0.442  1.0
  O  O35  1  0.600  0.469  0.250  1.0
  O  O36  1  0.357  0.260  0.058  1.0
  O  O37  1  0.680  0.519  0.750  1.0
  O  O38  1  0.643  0.740  0.942  1.0
  O  O39  1  0.740  0.097  0.058  1.0
  O  O40  1  0.469  0.869  0.750  1.0
  O  O41  1  0.531  0.131  0.250  1.0
[/CIF]
.