The crystal structure described by Sr5(BO3)3Cl crystallizes in the orthorhombic C222_1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent Cl(1) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(2), one O(5), two equivalent O(3), two equivalent O(4), and two equivalent Cl(1) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Sr(1), two equivalent Sr(3), two equivalent Sr(4), and one B(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), and one B(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(3), one Sr(4), two equivalent Sr(2), and one B(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), and one B(1) atom. Cl(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1) and four equivalent Sr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr5B3ClO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.798
_cell_length_b   8.798
_cell_length_c   7.488
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.996
_symmetry_Int_Tables_number   1
_cell_volume   544.633
_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  0.761  0.761  0.000  1.0
  Sr  Sr1  1  0.262  0.005  0.936  1.0
  Sr  Sr2  1  0.239  0.239  0.500  1.0
  Sr  Sr3  1  0.635  0.365  0.750  1.0
  Sr  Sr4  1  0.365  0.635  0.250  1.0
  Sr  Sr5  1  0.362  0.638  0.750  1.0
  Sr  Sr6  1  0.738  0.995  0.436  1.0
  Sr  Sr7  1  0.638  0.362  0.250  1.0
  Sr  Sr8  1  0.995  0.738  0.564  1.0
  Sr  Sr9  1  0.005  0.262  0.064  1.0
  B  B10  1  0.985  0.409  0.471  1.0
  B  B11  1  0.591  0.015  0.029  1.0
  B  B12  1  0.370  0.370  0.000  1.0
  B  B13  1  0.409  0.985  0.529  1.0
  B  B14  1  0.630  0.630  0.500  1.0
  B  B15  1  0.015  0.591  0.971  1.0
  Cl  Cl16  1  0.947  0.053  0.750  1.0
  Cl  Cl17  1  0.053  0.947  0.250  1.0
  O  O18  1  0.491  0.491  0.500  1.0
  O  O19  1  0.445  0.847  0.487  1.0
  O  O20  1  0.509  0.509  0.000  1.0
  O  O21  1  0.303  0.305  0.162  1.0
  O  O22  1  0.847  0.445  0.513  1.0
  O  O23  1  0.029  0.735  0.886  1.0
  O  O24  1  0.971  0.265  0.386  1.0
  O  O25  1  0.697  0.695  0.662  1.0
  O  O26  1  0.305  0.303  0.838  1.0
  O  O27  1  0.153  0.555  0.013  1.0
  O  O28  1  0.521  0.139  0.490  1.0
  O  O29  1  0.735  0.029  0.114  1.0
  O  O30  1  0.695  0.697  0.338  1.0
  O  O31  1  0.479  0.861  0.990  1.0
  O  O32  1  0.555  0.153  0.987  1.0
  O  O33  1  0.861  0.479  0.010  1.0
  O  O34  1  0.265  0.971  0.614  1.0
  O  O35  1  0.139  0.521  0.510  1.0
[/CIF]
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The crystal structure described by Sr5(BO3)3Cl crystallizes in the orthorhombic C222_1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent Cl(1) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(2), one O(5), two equivalent O(3), two equivalent O(4), and two equivalent Cl(1) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Sr(1), two equivalent Sr(3), two equivalent Sr(4), and one B(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), and one B(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(3), one Sr(4), two equivalent Sr(2), and one B(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), and one B(1) atom. Cl(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1) and four equivalent Sr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr5B3ClO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.798
_cell_length_b   8.798
_cell_length_c   7.488
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.996
_symmetry_Int_Tables_number   1
_cell_volume   544.633
_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  0.761  0.761  0.000  1.0
  Sr  Sr1  1  0.262  0.005  0.936  1.0
  Sr  Sr2  1  0.239  0.239  0.500  1.0
  Sr  Sr3  1  0.635  0.365  0.750  1.0
  Sr  Sr4  1  0.365  0.635  0.250  1.0
  Sr  Sr5  1  0.362  0.638  0.750  1.0
  Sr  Sr6  1  0.738  0.995  0.436  1.0
  Sr  Sr7  1  0.638  0.362  0.250  1.0
  Sr  Sr8  1  0.995  0.738  0.564  1.0
  Sr  Sr9  1  0.005  0.262  0.064  1.0
  B  B10  1  0.985  0.409  0.471  1.0
  B  B11  1  0.591  0.015  0.029  1.0
  B  B12  1  0.370  0.370  0.000  1.0
  B  B13  1  0.409  0.985  0.529  1.0
  B  B14  1  0.630  0.630  0.500  1.0
  B  B15  1  0.015  0.591  0.971  1.0
  Cl  Cl16  1  0.947  0.053  0.750  1.0
  Cl  Cl17  1  0.053  0.947  0.250  1.0
  O  O18  1  0.491  0.491  0.500  1.0
  O  O19  1  0.445  0.847  0.487  1.0
  O  O20  1  0.509  0.509  0.000  1.0
  O  O21  1  0.303  0.305  0.162  1.0
  O  O22  1  0.847  0.445  0.513  1.0
  O  O23  1  0.029  0.735  0.886  1.0
  O  O24  1  0.971  0.265  0.386  1.0
  O  O25  1  0.697  0.695  0.662  1.0
  O  O26  1  0.305  0.303  0.838  1.0
  O  O27  1  0.153  0.555  0.013  1.0
  O  O28  1  0.521  0.139  0.490  1.0
  O  O29  1  0.735  0.029  0.114  1.0
  O  O30  1  0.695  0.697  0.338  1.0
  O  O31  1  0.479  0.861  0.990  1.0
  O  O32  1  0.555  0.153  0.987  1.0
  O  O33  1  0.861  0.479  0.010  1.0
  O  O34  1  0.265  0.971  0.614  1.0
  O  O35  1  0.139  0.521  0.510  1.0
[/CIF]
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