The crystal structure described by Cr3B7O13Cl crystallizes in the orthorhombic Pca2_1 space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(13), one O(3), one O(9), and one Cl(1) atom. In the second Cr site, Cr(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(4), one O(5), one O(6), and one Cl(1) atom. In the third Cr site, Cr(3) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(2), one O(7), one O(8), and one Cl(1) atom. There are seven inequivalent B sites. In the first B site, B(1) is bonded to one O(11), one O(3), one O(8), and one O(9) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to one O(10), one O(13), one O(4), and one O(5) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(1), one O(12), one O(4), and one O(7) atom to form corner-sharing BO4 tetrahedra. In the fourth B site, B(4) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form corner-sharing BO4 tetrahedra. In the fifth B site, B(5) is bonded to one O(12), one O(13), one O(3), and one O(8) atom to form corner-sharing BO4 tetrahedra. In the sixth B site, B(6) is bonded to one O(12), one O(2), one O(5), and one O(9) atom to form corner-sharing BO4 tetrahedra. In the seventh B site, B(7) is bonded to one O(10), one O(11), one O(12), and one O(6) atom to form corner-sharing BO4 tetrahedra. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cr(2), one B(3), and one B(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cr(3), one B(4), and one B(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cr(1), one B(1), and one B(5) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Cr(2), one B(2), and one B(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Cr(2), one B(2), and one B(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Cr(2), one B(4), and one B(7) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Cr(3), one B(3), and one B(4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Cr(3), one B(1), and one B(5) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Cr(1), one B(1), and one B(6) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Cr(1), one B(2), and one B(7) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Cr(3), one B(1), and one B(7) atom. In the twelfth O site, O(12) is bonded in a tetrahedral geometry to one B(3), one B(5), one B(6), and one B(7) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Cr(1), one B(2), and one B(5) atom. Cl(1) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(2), and one Cr(3) atom. is represented by the CIF card [CIF]
data_Cr3B7ClO13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.666
_cell_length_b   8.677
_cell_length_c   8.677
_cell_angle_alpha   60.067
_cell_angle_beta   60.042
_cell_angle_gamma   60.042
_symmetry_Int_Tables_number   1
_cell_volume   461.951
_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
  B  B0  1  0.251  0.748  0.748  1.0
  B  B1  1  0.252  0.248  0.748  1.0
  B  B2  1  0.421  0.918  0.418  1.0
  B  B3  1  0.752  0.748  0.248  1.0
  B  B4  1  0.751  0.748  0.748  1.0
  B  B5  1  0.252  0.248  0.248  1.0
  B  B6  1  0.244  0.418  0.918  1.0
  B  B7  1  0.921  0.418  0.918  1.0
  B  B8  1  0.422  0.919  0.737  1.0
  B  B9  1  0.752  0.248  0.248  1.0
  B  B10  1  0.422  0.237  0.419  1.0
  B  B11  1  0.922  0.419  0.237  1.0
  B  B12  1  0.744  0.918  0.418  1.0
  B  B13  1  0.922  0.737  0.919  1.0
  Cl  Cl14  1  0.258  0.742  0.242  1.0
  Cl  Cl15  1  0.758  0.242  0.742  1.0
  Cr  Cr16  1  0.501  0.998  0.998  1.0
  Cr  Cr17  1  0.502  0.498  0.498  1.0
  Cr  Cr18  1  0.494  0.506  0.006  1.0
  Cr  Cr19  1  0.001  0.998  0.998  1.0
  Cr  Cr20  1  0.002  0.498  0.498  1.0
  Cr  Cr21  1  0.994  0.006  0.506  1.0
  O  O22  1  0.396  0.743  0.562  1.0
  O  O23  1  0.398  0.293  0.243  1.0
  O  O24  1  0.896  0.562  0.743  1.0
  O  O25  1  0.298  0.394  0.743  1.0
  O  O26  1  0.397  0.063  0.794  1.0
  O  O27  1  0.246  0.894  0.793  1.0
  O  O28  1  0.299  0.243  0.062  1.0
  O  O29  1  0.799  0.062  0.243  1.0
  O  O30  1  0.246  0.063  0.393  1.0
  O  O31  1  0.298  0.563  0.893  1.0
  O  O32  1  0.067  0.394  0.293  1.0
  O  O33  1  0.746  0.563  0.294  1.0
  O  O34  1  0.897  0.794  0.063  1.0
  O  O35  1  0.065  0.793  0.743  1.0
  O  O36  1  0.565  0.743  0.793  1.0
  O  O37  1  0.501  0.999  0.499  1.0
  O  O38  1  0.898  0.243  0.293  1.0
  O  O39  1  0.001  0.499  0.999  1.0
  O  O40  1  0.798  0.893  0.563  1.0
  O  O41  1  0.746  0.793  0.894  1.0
  O  O42  1  0.746  0.393  0.063  1.0
  O  O43  1  0.246  0.294  0.563  1.0
  O  O44  1  0.065  0.243  0.894  1.0
  O  O45  1  0.565  0.894  0.243  1.0
  O  O46  1  0.798  0.743  0.394  1.0
  O  O47  1  0.567  0.293  0.394  1.0
[/CIF]
.
The crystal structure described by Cr3B7O13Cl crystallizes in the orthorhombic Pca2_1 space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(13), one O(3), one O(9), and one Cl(1) atom. In the second Cr site, Cr(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(4), one O(5), one O(6), and one Cl(1) atom. In the third Cr site, Cr(3) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(2), one O(7), one O(8), and one Cl(1) atom. There are seven inequivalent B sites. In the first B site, B(1) is bonded to one O(11), one O(3), one O(8), and one O(9) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to one O(10), one O(13), one O(4), and one O(5) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(1), one O(12), one O(4), and one O(7) atom to form corner-sharing BO4 tetrahedra. In the fourth B site, B(4) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form corner-sharing BO4 tetrahedra. In the fifth B site, B(5) is bonded to one O(12), one O(13), one O(3), and one O(8) atom to form corner-sharing BO4 tetrahedra. In the sixth B site, B(6) is bonded to one O(12), one O(2), one O(5), and one O(9) atom to form corner-sharing BO4 tetrahedra. In the seventh B site, B(7) is bonded to one O(10), one O(11), one O(12), and one O(6) atom to form corner-sharing BO4 tetrahedra. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cr(2), one B(3), and one B(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cr(3), one B(4), and one B(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cr(1), one B(1), and one B(5) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Cr(2), one B(2), and one B(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Cr(2), one B(2), and one B(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Cr(2), one B(4), and one B(7) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Cr(3), one B(3), and one B(4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Cr(3), one B(1), and one B(5) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Cr(1), one B(1), and one B(6) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Cr(1), one B(2), and one B(7) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Cr(3), one B(1), and one B(7) atom. In the twelfth O site, O(12) is bonded in a tetrahedral geometry to one B(3), one B(5), one B(6), and one B(7) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Cr(1), one B(2), and one B(5) atom. Cl(1) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(2), and one Cr(3) atom. is represented by the CIF card [CIF]
data_Cr3B7ClO13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.666
_cell_length_b   8.677
_cell_length_c   8.677
_cell_angle_alpha   60.067
_cell_angle_beta   60.042
_cell_angle_gamma   60.042
_symmetry_Int_Tables_number   1
_cell_volume   461.951
_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
  B  B0  1  0.251  0.748  0.748  1.0
  B  B1  1  0.252  0.248  0.748  1.0
  B  B2  1  0.421  0.918  0.418  1.0
  B  B3  1  0.752  0.748  0.248  1.0
  B  B4  1  0.751  0.748  0.748  1.0
  B  B5  1  0.252  0.248  0.248  1.0
  B  B6  1  0.244  0.418  0.918  1.0
  B  B7  1  0.921  0.418  0.918  1.0
  B  B8  1  0.422  0.919  0.737  1.0
  B  B9  1  0.752  0.248  0.248  1.0
  B  B10  1  0.422  0.237  0.419  1.0
  B  B11  1  0.922  0.419  0.237  1.0
  B  B12  1  0.744  0.918  0.418  1.0
  B  B13  1  0.922  0.737  0.919  1.0
  Cl  Cl14  1  0.258  0.742  0.242  1.0
  Cl  Cl15  1  0.758  0.242  0.742  1.0
  Cr  Cr16  1  0.501  0.998  0.998  1.0
  Cr  Cr17  1  0.502  0.498  0.498  1.0
  Cr  Cr18  1  0.494  0.506  0.006  1.0
  Cr  Cr19  1  0.001  0.998  0.998  1.0
  Cr  Cr20  1  0.002  0.498  0.498  1.0
  Cr  Cr21  1  0.994  0.006  0.506  1.0
  O  O22  1  0.396  0.743  0.562  1.0
  O  O23  1  0.398  0.293  0.243  1.0
  O  O24  1  0.896  0.562  0.743  1.0
  O  O25  1  0.298  0.394  0.743  1.0
  O  O26  1  0.397  0.063  0.794  1.0
  O  O27  1  0.246  0.894  0.793  1.0
  O  O28  1  0.299  0.243  0.062  1.0
  O  O29  1  0.799  0.062  0.243  1.0
  O  O30  1  0.246  0.063  0.393  1.0
  O  O31  1  0.298  0.563  0.893  1.0
  O  O32  1  0.067  0.394  0.293  1.0
  O  O33  1  0.746  0.563  0.294  1.0
  O  O34  1  0.897  0.794  0.063  1.0
  O  O35  1  0.065  0.793  0.743  1.0
  O  O36  1  0.565  0.743  0.793  1.0
  O  O37  1  0.501  0.999  0.499  1.0
  O  O38  1  0.898  0.243  0.293  1.0
  O  O39  1  0.001  0.499  0.999  1.0
  O  O40  1  0.798  0.893  0.563  1.0
  O  O41  1  0.746  0.793  0.894  1.0
  O  O42  1  0.746  0.393  0.063  1.0
  O  O43  1  0.246  0.294  0.563  1.0
  O  O44  1  0.065  0.243  0.894  1.0
  O  O45  1  0.565  0.894  0.243  1.0
  O  O46  1  0.798  0.743  0.394  1.0
  O  O47  1  0.567  0.293  0.394  1.0
[/CIF]
.