The crystal structure described by SrB4O7 crystallizes in the orthorhombic Pmn2_1 space group. Sr(1) is bonded in a 9-coordinate geometry to one O(4), four equivalent O(1), and four equivalent O(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing BO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Sr(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Sr(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one B(2) and two equivalent B(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Sr(1) and two equivalent B(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrB4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.241
_cell_length_b   4.432
_cell_length_c   10.727
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   201.651
_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  0.501  0.287  0.500  1.0
  Sr  Sr1  1  0.001  0.713  0.000  1.0
  B  B2  1  0.006  0.322  0.751  1.0
  B  B3  1  0.506  0.678  0.749  1.0
  B  B4  1  0.030  0.826  0.622  1.0
  B  B5  1  0.530  0.174  0.878  1.0
  B  B6  1  0.530  0.174  0.122  1.0
  B  B7  1  0.030  0.826  0.378  1.0
  B  B8  1  0.506  0.678  0.251  1.0
  B  B9  1  0.006  0.322  0.249  1.0
  O  O10  1  0.959  0.143  0.642  1.0
  O  O11  1  0.867  0.227  0.135  1.0
  O  O12  1  0.367  0.773  0.365  1.0
  O  O13  1  0.367  0.773  0.635  1.0
  O  O14  1  0.363  0.368  0.222  1.0
  O  O15  1  0.863  0.632  0.278  1.0
  O  O16  1  0.863  0.632  0.722  1.0
  O  O17  1  0.363  0.368  0.778  1.0
  O  O18  1  0.459  0.857  0.142  1.0
  O  O19  1  0.959  0.143  0.358  1.0
  O  O20  1  0.924  0.728  0.500  1.0
  O  O21  1  0.424  0.272  0.000  1.0
  O  O22  1  0.867  0.227  0.865  1.0
  O  O23  1  0.459  0.857  0.858  1.0
[/CIF]
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The crystal structure described by SrB4O7 crystallizes in the orthorhombic Pmn2_1 space group. Sr(1) is bonded in a 9-coordinate geometry to one O(4), four equivalent O(1), and four equivalent O(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing BO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Sr(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Sr(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one B(2) and two equivalent B(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Sr(1) and two equivalent B(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrB4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.241
_cell_length_b   4.432
_cell_length_c   10.727
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   201.651
_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  0.501  0.287  0.500  1.0
  Sr  Sr1  1  0.001  0.713  0.000  1.0
  B  B2  1  0.006  0.322  0.751  1.0
  B  B3  1  0.506  0.678  0.749  1.0
  B  B4  1  0.030  0.826  0.622  1.0
  B  B5  1  0.530  0.174  0.878  1.0
  B  B6  1  0.530  0.174  0.122  1.0
  B  B7  1  0.030  0.826  0.378  1.0
  B  B8  1  0.506  0.678  0.251  1.0
  B  B9  1  0.006  0.322  0.249  1.0
  O  O10  1  0.959  0.143  0.642  1.0
  O  O11  1  0.867  0.227  0.135  1.0
  O  O12  1  0.367  0.773  0.365  1.0
  O  O13  1  0.367  0.773  0.635  1.0
  O  O14  1  0.363  0.368  0.222  1.0
  O  O15  1  0.863  0.632  0.278  1.0
  O  O16  1  0.863  0.632  0.722  1.0
  O  O17  1  0.363  0.368  0.778  1.0
  O  O18  1  0.459  0.857  0.142  1.0
  O  O19  1  0.959  0.143  0.358  1.0
  O  O20  1  0.924  0.728  0.500  1.0
  O  O21  1  0.424  0.272  0.000  1.0
  O  O22  1  0.867  0.227  0.865  1.0
  O  O23  1  0.459  0.857  0.858  1.0
[/CIF]
.