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 9-coordinate geometry to one O(2), one O(3), one O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(4), two equivalent O(1), two equivalent O(7), and two equivalent O(8) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(6), two equivalent O(3), and two equivalent O(7) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and corners with two equivalent Mn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-8°. In the second Mn site, Mn(2) is bonded to one O(5), two equivalent O(4), and two equivalent O(7) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and corners with two equivalent Mn(2)O5 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the third Mn site, Mn(3) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and  a cornercorner with one Mn(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 0-2°. B(1) is bonded in a trigonal planar geometry to one O(6) and two equivalent O(8) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(2), one Mn(1), and one Mn(3) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(2) atoms. In the fifth O site, O(5) is bonded to four equivalent Sr(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to four equivalent Sr(1), one Mn(1), and one B(1) atom. In the seventh O site, O(7) 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 edge, corner, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Sr(2), one Mn(3), and one B(1) atom. is represented by the CIF file [CIF]
data_Sr4Mn3BO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.824
_cell_length_b   7.722
_cell_length_c   8.924
_cell_angle_alpha   115.639
_cell_angle_beta   89.998
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   237.557
_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  0.000  0.087  0.175  1.0
  Mn  Mn1  1  1.000  0.852  0.703  1.0
  Mn  Mn2  1  0.000  0.351  0.702  1.0
  Mn  Mn3  1  0.000  0.601  0.201  1.0
  O  O4  1  1.000  0.719  0.439  1.0
  O  O5  1  0.500  0.598  0.196  1.0
  O  O6  1  0.500  0.860  0.719  1.0
  O  O7  1  0.500  0.325  0.650  1.0
  O  O8  1  0.000  0.480  0.960  1.0
  O  O9  1  1.000  1.000  0.999  1.0
  O  O10  1  1.000  0.599  0.702  1.0
  O  O11  1  0.000  0.104  0.702  1.0
  O  O12  1  0.000  0.287  0.257  1.0
  O  O13  1  0.000  0.970  0.257  1.0
  Sr  Sr14  1  0.500  0.715  0.940  1.0
  Sr  Sr15  1  0.500  0.225  0.940  1.0
  Sr  Sr16  1  0.500  0.496  0.456  1.0
  Sr  Sr17  1  0.500  0.960  0.456  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 9-coordinate geometry to one O(2), one O(3), one O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(4), two equivalent O(1), two equivalent O(7), and two equivalent O(8) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(6), two equivalent O(3), and two equivalent O(7) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and corners with two equivalent Mn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-8°. In the second Mn site, Mn(2) is bonded to one O(5), two equivalent O(4), and two equivalent O(7) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and corners with two equivalent Mn(2)O5 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the third Mn site, Mn(3) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and  a cornercorner with one Mn(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 0-2°. B(1) is bonded in a trigonal planar geometry to one O(6) and two equivalent O(8) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(2), one Mn(1), and one Mn(3) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(2) atoms. In the fifth O site, O(5) is bonded to four equivalent Sr(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to four equivalent Sr(1), one Mn(1), and one B(1) atom. In the seventh O site, O(7) 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 edge, corner, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Sr(2), one Mn(3), and one B(1) atom. is represented by the CIF file [CIF]
data_Sr4Mn3BO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.824
_cell_length_b   7.722
_cell_length_c   8.924
_cell_angle_alpha   115.639
_cell_angle_beta   89.998
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   237.557
_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  0.000  0.087  0.175  1.0
  Mn  Mn1  1  1.000  0.852  0.703  1.0
  Mn  Mn2  1  0.000  0.351  0.702  1.0
  Mn  Mn3  1  0.000  0.601  0.201  1.0
  O  O4  1  1.000  0.719  0.439  1.0
  O  O5  1  0.500  0.598  0.196  1.0
  O  O6  1  0.500  0.860  0.719  1.0
  O  O7  1  0.500  0.325  0.650  1.0
  O  O8  1  0.000  0.480  0.960  1.0
  O  O9  1  1.000  1.000  0.999  1.0
  O  O10  1  1.000  0.599  0.702  1.0
  O  O11  1  0.000  0.104  0.702  1.0
  O  O12  1  0.000  0.287  0.257  1.0
  O  O13  1  0.000  0.970  0.257  1.0
  Sr  Sr14  1  0.500  0.715  0.940  1.0
  Sr  Sr15  1  0.500  0.225  0.940  1.0
  Sr  Sr16  1  0.500  0.496  0.456  1.0
  Sr  Sr17  1  0.500  0.960  0.456  1.0
[/CIF]
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