The material described by Sr4Mn3BO3O7 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 11-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing MnO5 square pyramids. In the second Mn site, Mn(2) is bonded to one O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted corner-sharing MnO5 square pyramids. B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Mn(1), and one B(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Sr(1), two equivalent Sr(2), and one B(1) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner, edge, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-56°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(2) atoms. In the sixth O site, O(6) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(2) atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. is represented by the CIF card [CIF]
data_Sr4Mn3BO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.817
_cell_length_b   7.728
_cell_length_c   8.932
_cell_angle_alpha   64.367
_cell_angle_beta   90.000
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   237.562
_cell_formula_units_Z   1
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  1.000  0.041  0.000  1.0
  Mn  Mn1  1  0.000  0.511  1.000  1.0
  Mn  Mn2  1  1.000  0.760  0.501  1.0
  Mn  Mn3  1  0.000  0.260  0.499  1.0
  O  O4  1  1.000  0.225  0.000  1.0
  O  O5  1  0.500  0.552  1.000  1.0
  O  O6  1  0.000  0.881  0.153  1.0
  O  O7  1  1.000  0.033  0.847  1.0
  O  O8  1  0.000  0.638  0.761  1.0
  O  O9  1  1.000  0.398  0.239  1.0
  O  O10  1  0.500  0.775  0.471  1.0
  O  O11  1  0.500  0.246  0.530  1.0
  O  O12  1  0.000  0.017  0.485  1.0
  O  O13  1  1.000  0.502  0.515  1.0
  Sr  Sr14  1  0.500  0.144  0.256  1.0
  Sr  Sr15  1  0.500  0.400  0.744  1.0
  Sr  Sr16  1  0.500  0.884  0.737  1.0
  Sr  Sr17  1  0.500  0.621  0.263  1.0
[/CIF]
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The material described by Sr4Mn3BO3O7 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 11-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing MnO5 square pyramids. In the second Mn site, Mn(2) is bonded to one O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted corner-sharing MnO5 square pyramids. B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Mn(1), and one B(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Sr(1), two equivalent Sr(2), and one B(1) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner, edge, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-56°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(2) atoms. In the sixth O site, O(6) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(2) atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. is represented by the CIF card [CIF]
data_Sr4Mn3BO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.817
_cell_length_b   7.728
_cell_length_c   8.932
_cell_angle_alpha   64.367
_cell_angle_beta   90.000
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   237.562
_cell_formula_units_Z   1
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  1.000  0.041  0.000  1.0
  Mn  Mn1  1  0.000  0.511  1.000  1.0
  Mn  Mn2  1  1.000  0.760  0.501  1.0
  Mn  Mn3  1  0.000  0.260  0.499  1.0
  O  O4  1  1.000  0.225  0.000  1.0
  O  O5  1  0.500  0.552  1.000  1.0
  O  O6  1  0.000  0.881  0.153  1.0
  O  O7  1  1.000  0.033  0.847  1.0
  O  O8  1  0.000  0.638  0.761  1.0
  O  O9  1  1.000  0.398  0.239  1.0
  O  O10  1  0.500  0.775  0.471  1.0
  O  O11  1  0.500  0.246  0.530  1.0
  O  O12  1  0.000  0.017  0.485  1.0
  O  O13  1  1.000  0.502  0.515  1.0
  Sr  Sr14  1  0.500  0.144  0.256  1.0
  Sr  Sr15  1  0.500  0.400  0.744  1.0
  Sr  Sr16  1  0.500  0.884  0.737  1.0
  Sr  Sr17  1  0.500  0.621  0.263  1.0
[/CIF]
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