The material described by Sr5(CrO4)3Cl crystallizes in the hexagonal P6_3 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), two equivalent O(3), 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(3), and three equivalent O(4) atoms. In the third Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), two equivalent O(3), and two equivalent Cl(1) atoms. In the fourth Sr site, Sr(3) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(4) 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 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), and one Cr(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(3); two Sr(1,1); and one Cr(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Sr(2), two equivalent Sr(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), and one Cr(1) atom. Cl(1) is bonded to six Sr(1,1) atoms to form face-sharing ClSr6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr5Cr3ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.283
_cell_length_b   10.283
_cell_length_c   7.379
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   675.692
_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  0.998  0.746  0.756  1.0
  Sr  Sr1  1  0.333  0.667  0.498  1.0
  Sr  Sr2  1  0.746  0.748  0.256  1.0
  Sr  Sr3  1  0.667  0.333  0.500  1.0
  Sr  Sr4  1  0.252  0.998  0.256  1.0
  Sr  Sr5  1  0.254  0.252  0.756  1.0
  Sr  Sr6  1  0.002  0.254  0.256  1.0
  Sr  Sr7  1  0.667  0.333  0.998  1.0
  Sr  Sr8  1  0.748  0.002  0.756  1.0
  Sr  Sr9  1  0.333  0.667  1.000  1.0
  Cr  Cr10  1  0.032  0.405  0.753  1.0
  Cr  Cr11  1  0.373  0.968  0.753  1.0
  Cr  Cr12  1  0.595  0.627  0.753  1.0
  Cr  Cr13  1  0.968  0.595  0.253  1.0
  Cr  Cr14  1  0.627  0.032  0.253  1.0
  Cr  Cr15  1  0.405  0.373  0.253  1.0
  Cl  Cl16  1  0.000  0.000  0.510  1.0
  Cl  Cl17  1  0.000  0.000  0.010  1.0
  O  O18  1  0.162  0.682  0.251  1.0
  O  O19  1  0.736  0.098  0.445  1.0
  O  O20  1  0.093  0.347  0.570  1.0
  O  O21  1  0.264  0.902  0.945  1.0
  O  O22  1  0.130  0.600  0.746  1.0
  O  O23  1  0.254  0.907  0.570  1.0
  O  O24  1  0.520  0.838  0.251  1.0
  O  O25  1  0.480  0.162  0.751  1.0
  O  O26  1  0.653  0.746  0.570  1.0
  O  O27  1  0.400  0.531  0.746  1.0
  O  O28  1  0.318  0.480  0.251  1.0
  O  O29  1  0.362  0.264  0.445  1.0
  O  O30  1  0.907  0.653  0.070  1.0
  O  O31  1  0.838  0.318  0.751  1.0
  O  O32  1  0.870  0.400  0.246  1.0
  O  O33  1  0.098  0.362  0.945  1.0
  O  O34  1  0.902  0.638  0.445  1.0
  O  O35  1  0.600  0.469  0.246  1.0
  O  O36  1  0.347  0.254  0.070  1.0
  O  O37  1  0.682  0.520  0.751  1.0
  O  O38  1  0.638  0.736  0.945  1.0
  O  O39  1  0.746  0.093  0.070  1.0
  O  O40  1  0.469  0.870  0.746  1.0
  O  O41  1  0.531  0.130  0.246  1.0
[/CIF]
.
The material described by Sr5(CrO4)3Cl crystallizes in the hexagonal P6_3 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), two equivalent O(3), 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(3), and three equivalent O(4) atoms. In the third Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), two equivalent O(3), and two equivalent Cl(1) atoms. In the fourth Sr site, Sr(3) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(4) 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 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), and one Cr(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(3); two Sr(1,1); and one Cr(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Sr(2), two equivalent Sr(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), and one Cr(1) atom. Cl(1) is bonded to six Sr(1,1) atoms to form face-sharing ClSr6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr5Cr3ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.283
_cell_length_b   10.283
_cell_length_c   7.379
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   675.692
_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  0.998  0.746  0.756  1.0
  Sr  Sr1  1  0.333  0.667  0.498  1.0
  Sr  Sr2  1  0.746  0.748  0.256  1.0
  Sr  Sr3  1  0.667  0.333  0.500  1.0
  Sr  Sr4  1  0.252  0.998  0.256  1.0
  Sr  Sr5  1  0.254  0.252  0.756  1.0
  Sr  Sr6  1  0.002  0.254  0.256  1.0
  Sr  Sr7  1  0.667  0.333  0.998  1.0
  Sr  Sr8  1  0.748  0.002  0.756  1.0
  Sr  Sr9  1  0.333  0.667  1.000  1.0
  Cr  Cr10  1  0.032  0.405  0.753  1.0
  Cr  Cr11  1  0.373  0.968  0.753  1.0
  Cr  Cr12  1  0.595  0.627  0.753  1.0
  Cr  Cr13  1  0.968  0.595  0.253  1.0
  Cr  Cr14  1  0.627  0.032  0.253  1.0
  Cr  Cr15  1  0.405  0.373  0.253  1.0
  Cl  Cl16  1  0.000  0.000  0.510  1.0
  Cl  Cl17  1  0.000  0.000  0.010  1.0
  O  O18  1  0.162  0.682  0.251  1.0
  O  O19  1  0.736  0.098  0.445  1.0
  O  O20  1  0.093  0.347  0.570  1.0
  O  O21  1  0.264  0.902  0.945  1.0
  O  O22  1  0.130  0.600  0.746  1.0
  O  O23  1  0.254  0.907  0.570  1.0
  O  O24  1  0.520  0.838  0.251  1.0
  O  O25  1  0.480  0.162  0.751  1.0
  O  O26  1  0.653  0.746  0.570  1.0
  O  O27  1  0.400  0.531  0.746  1.0
  O  O28  1  0.318  0.480  0.251  1.0
  O  O29  1  0.362  0.264  0.445  1.0
  O  O30  1  0.907  0.653  0.070  1.0
  O  O31  1  0.838  0.318  0.751  1.0
  O  O32  1  0.870  0.400  0.246  1.0
  O  O33  1  0.098  0.362  0.945  1.0
  O  O34  1  0.902  0.638  0.445  1.0
  O  O35  1  0.600  0.469  0.246  1.0
  O  O36  1  0.347  0.254  0.070  1.0
  O  O37  1  0.682  0.520  0.751  1.0
  O  O38  1  0.638  0.736  0.945  1.0
  O  O39  1  0.746  0.093  0.070  1.0
  O  O40  1  0.469  0.870  0.746  1.0
  O  O41  1  0.531  0.130  0.246  1.0
[/CIF]
.