The material described by Sr2Mn3(BO5)2 crystallizes in the monoclinic Pm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one O(10), one O(6), one O(9), two equivalent O(2), and two equivalent O(7) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(7), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second Mn site, Mn(2) is bonded to one O(5), one O(9), two equivalent O(1), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), two equivalent O(10), and two equivalent O(9) atoms to form edge-sharing MnO6 octahedra. 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(3), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mn(3), two equivalent Mn(2), and one B(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Mn(3), and one B(1) atom. In the third O site, O(3) is bonded to one Sr(2), two equivalent Mn(1), and one B(1) atom to form distorted OSrMn2B trigonal pyramids that share corners with four equivalent O(6)Sr3Mn tetrahedra and corners with two equivalent O(3)SrMn2B trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Mn(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(2), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded to one Sr(1), two equivalent Sr(2), and one Mn(1) atom to form distorted OSr3Mn tetrahedra that share corners with two equivalent O(6)Sr3Mn tetrahedra and corners with four equivalent O(3)SrMn2B trigonal pyramids. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one B(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Mn(2) and one B(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Sr(1), one Mn(2), and two equivalent Mn(3) atoms. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Sr(1) and two equivalent Mn(3) atoms. is represented by the CIF file [CIF]
data_Sr2Mn3(BO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.393
_cell_length_b   5.810
_cell_length_c   10.663
_cell_angle_alpha   87.859
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.047
_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
  Sr  Sr0  1  0.500  0.149  0.318  1.0
  Sr  Sr1  1  0.000  0.980  0.005  1.0
  Mn  Mn2  1  0.500  0.477  0.991  1.0
  Mn  Mn3  1  0.500  0.814  0.710  1.0
  Mn  Mn4  1  0.000  0.547  0.506  1.0
  B  B5  1  0.000  0.658  0.228  1.0
  B  B6  1  0.000  0.311  0.759  1.0
  O  O7  1  0.000  0.531  0.689  1.0
  O  O8  1  0.000  0.490  0.324  1.0
  O  O9  1  0.000  0.591  0.102  1.0
  O  O10  1  0.000  0.348  0.886  1.0
  O  O11  1  0.500  0.765  0.886  1.0
  O  O12  1  0.500  0.217  0.091  1.0
  O  O13  1  0.000  0.886  0.251  1.0
  O  O14  1  0.000  0.091  0.713  1.0
  O  O15  1  0.500  0.780  0.526  1.0
  O  O16  1  0.500  0.364  0.513  1.0
[/CIF]
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The material described by Sr2Mn3(BO5)2 crystallizes in the monoclinic Pm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one O(10), one O(6), one O(9), two equivalent O(2), and two equivalent O(7) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(7), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second Mn site, Mn(2) is bonded to one O(5), one O(9), two equivalent O(1), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), two equivalent O(10), and two equivalent O(9) atoms to form edge-sharing MnO6 octahedra. 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(3), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mn(3), two equivalent Mn(2), and one B(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Mn(3), and one B(1) atom. In the third O site, O(3) is bonded to one Sr(2), two equivalent Mn(1), and one B(1) atom to form distorted OSrMn2B trigonal pyramids that share corners with four equivalent O(6)Sr3Mn tetrahedra and corners with two equivalent O(3)SrMn2B trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Mn(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(2), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded to one Sr(1), two equivalent Sr(2), and one Mn(1) atom to form distorted OSr3Mn tetrahedra that share corners with two equivalent O(6)Sr3Mn tetrahedra and corners with four equivalent O(3)SrMn2B trigonal pyramids. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one B(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Mn(2) and one B(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Sr(1), one Mn(2), and two equivalent Mn(3) atoms. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Sr(1) and two equivalent Mn(3) atoms. is represented by the CIF file [CIF]
data_Sr2Mn3(BO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.393
_cell_length_b   5.810
_cell_length_c   10.663
_cell_angle_alpha   87.859
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.047
_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
  Sr  Sr0  1  0.500  0.149  0.318  1.0
  Sr  Sr1  1  0.000  0.980  0.005  1.0
  Mn  Mn2  1  0.500  0.477  0.991  1.0
  Mn  Mn3  1  0.500  0.814  0.710  1.0
  Mn  Mn4  1  0.000  0.547  0.506  1.0
  B  B5  1  0.000  0.658  0.228  1.0
  B  B6  1  0.000  0.311  0.759  1.0
  O  O7  1  0.000  0.531  0.689  1.0
  O  O8  1  0.000  0.490  0.324  1.0
  O  O9  1  0.000  0.591  0.102  1.0
  O  O10  1  0.000  0.348  0.886  1.0
  O  O11  1  0.500  0.765  0.886  1.0
  O  O12  1  0.500  0.217  0.091  1.0
  O  O13  1  0.000  0.886  0.251  1.0
  O  O14  1  0.000  0.091  0.713  1.0
  O  O15  1  0.500  0.780  0.526  1.0
  O  O16  1  0.500  0.364  0.513  1.0
[/CIF]
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