The material structure described by Sm3B3O7 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to one B(1), one B(3), three equivalent O(2), and three equivalent O(5) atoms to form distorted SmB2O6 hexagonal bipyramids that share  a cornercorner with one Sm(1)B2O6 hexagonal bipyramid,  a cornercorner with one Sm(3)BO7 hexagonal bipyramid, and edges with six equivalent Sm(1)B2O6 hexagonal bipyramids. In the second Sm site, Sm(2) is bonded to one B(2), one O(4), three equivalent O(3), and three equivalent O(6) atoms to form a mixture of distorted corner and edge-sharing SmBO7 hexagonal bipyramids. In the third Sm site, Sm(3) is bonded to one B(1), one O(4), three equivalent O(1), and three equivalent O(7) atoms to form distorted SmBO7 hexagonal bipyramids that share  a cornercorner with one Sm(1)B2O6 hexagonal bipyramid,  a cornercorner with one Sm(2)BO7 hexagonal bipyramid, and edges with six equivalent Sm(3)BO7 hexagonal bipyramids. There are four inequivalent B sites. In the first B site, B(1) is bonded in a bent 120 degrees geometry to one Sm(1), one Sm(3), one O(1), and one O(2) atom. In the second B site, B(2) is bonded in a bent 120 degrees geometry to two equivalent Sm(2) and two equivalent O(3) atoms. In the third B site, B(3) is bonded in a bent 120 degrees geometry to two equivalent Sm(1) and two equivalent O(5) atoms. In the fourth B site, B(4) is bonded in a distorted bent 150 degrees geometry to one O(6), one O(7), and two equivalent O(4) atoms. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a distorted single-bond geometry to three equivalent Sm(2) and one B(4) atom. In the second O site, O(7) is bonded in a distorted single-bond geometry to three equivalent Sm(3) and one B(4) atom. In the third O site, O(1) is bonded in a 1-coordinate geometry to three equivalent Sm(3) and one B(1) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Sm(1) and one B(1) atom. In the fifth O site, O(3) is bonded in a 1-coordinate geometry to three equivalent Sm(2) and one B(2) atom. In the sixth O site, O(4) is bonded in a see-saw-like geometry to one Sm(2), one Sm(3), and two equivalent B(4) atoms. In the seventh O site, O(5) is bonded in a distorted single-bond geometry to three equivalent Sm(1) and one B(3) atom. is represented by the CIF card [CIF]
data_Sm3B3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.118
_cell_length_b   4.118
_cell_length_c   25.480
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   122.995
_symmetry_Int_Tables_number   1
_cell_volume   362.364
_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
  Sm  Sm0  1  0.001  0.999  0.168  1.0
  Sm  Sm1  1  0.001  0.999  0.332  1.0
  Sm  Sm2  1  0.005  0.995  0.668  1.0
  Sm  Sm3  1  0.005  0.995  0.832  1.0
  Sm  Sm4  1  0.999  0.001  0.005  1.0
  Sm  Sm5  1  0.999  0.001  0.495  1.0
  B  B6  1  0.246  0.754  0.414  1.0
  B  B7  1  0.246  0.754  0.086  1.0
  B  B8  1  0.253  0.747  0.750  1.0
  B  B9  1  0.763  0.237  0.250  1.0
  B  B10  1  0.648  0.352  0.581  1.0
  B  B11  1  0.648  0.352  0.919  1.0
  O  O12  1  0.345  0.655  0.461  1.0
  O  O13  1  0.341  0.659  0.133  1.0
  O  O14  1  0.351  0.649  0.797  1.0
  O  O15  1  0.345  0.655  0.039  1.0
  O  O16  1  0.341  0.659  0.367  1.0
  O  O17  1  0.351  0.649  0.703  1.0
  O  O18  1  0.032  0.968  0.581  1.0
  O  O19  1  0.668  0.332  0.297  1.0
  O  O20  1  0.680  0.320  0.632  1.0
  O  O21  1  0.668  0.332  0.203  1.0
  O  O22  1  0.676  0.324  0.970  1.0
  O  O23  1  0.676  0.324  0.530  1.0
  O  O24  1  0.680  0.320  0.868  1.0
  O  O25  1  0.032  0.968  0.919  1.0
[/CIF]
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The material structure described by Sm3B3O7 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to one B(1), one B(3), three equivalent O(2), and three equivalent O(5) atoms to form distorted SmB2O6 hexagonal bipyramids that share  a cornercorner with one Sm(1)B2O6 hexagonal bipyramid,  a cornercorner with one Sm(3)BO7 hexagonal bipyramid, and edges with six equivalent Sm(1)B2O6 hexagonal bipyramids. In the second Sm site, Sm(2) is bonded to one B(2), one O(4), three equivalent O(3), and three equivalent O(6) atoms to form a mixture of distorted corner and edge-sharing SmBO7 hexagonal bipyramids. In the third Sm site, Sm(3) is bonded to one B(1), one O(4), three equivalent O(1), and three equivalent O(7) atoms to form distorted SmBO7 hexagonal bipyramids that share  a cornercorner with one Sm(1)B2O6 hexagonal bipyramid,  a cornercorner with one Sm(2)BO7 hexagonal bipyramid, and edges with six equivalent Sm(3)BO7 hexagonal bipyramids. There are four inequivalent B sites. In the first B site, B(1) is bonded in a bent 120 degrees geometry to one Sm(1), one Sm(3), one O(1), and one O(2) atom. In the second B site, B(2) is bonded in a bent 120 degrees geometry to two equivalent Sm(2) and two equivalent O(3) atoms. In the third B site, B(3) is bonded in a bent 120 degrees geometry to two equivalent Sm(1) and two equivalent O(5) atoms. In the fourth B site, B(4) is bonded in a distorted bent 150 degrees geometry to one O(6), one O(7), and two equivalent O(4) atoms. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a distorted single-bond geometry to three equivalent Sm(2) and one B(4) atom. In the second O site, O(7) is bonded in a distorted single-bond geometry to three equivalent Sm(3) and one B(4) atom. In the third O site, O(1) is bonded in a 1-coordinate geometry to three equivalent Sm(3) and one B(1) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Sm(1) and one B(1) atom. In the fifth O site, O(3) is bonded in a 1-coordinate geometry to three equivalent Sm(2) and one B(2) atom. In the sixth O site, O(4) is bonded in a see-saw-like geometry to one Sm(2), one Sm(3), and two equivalent B(4) atoms. In the seventh O site, O(5) is bonded in a distorted single-bond geometry to three equivalent Sm(1) and one B(3) atom. is represented by the CIF card [CIF]
data_Sm3B3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.118
_cell_length_b   4.118
_cell_length_c   25.480
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   122.995
_symmetry_Int_Tables_number   1
_cell_volume   362.364
_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
  Sm  Sm0  1  0.001  0.999  0.168  1.0
  Sm  Sm1  1  0.001  0.999  0.332  1.0
  Sm  Sm2  1  0.005  0.995  0.668  1.0
  Sm  Sm3  1  0.005  0.995  0.832  1.0
  Sm  Sm4  1  0.999  0.001  0.005  1.0
  Sm  Sm5  1  0.999  0.001  0.495  1.0
  B  B6  1  0.246  0.754  0.414  1.0
  B  B7  1  0.246  0.754  0.086  1.0
  B  B8  1  0.253  0.747  0.750  1.0
  B  B9  1  0.763  0.237  0.250  1.0
  B  B10  1  0.648  0.352  0.581  1.0
  B  B11  1  0.648  0.352  0.919  1.0
  O  O12  1  0.345  0.655  0.461  1.0
  O  O13  1  0.341  0.659  0.133  1.0
  O  O14  1  0.351  0.649  0.797  1.0
  O  O15  1  0.345  0.655  0.039  1.0
  O  O16  1  0.341  0.659  0.367  1.0
  O  O17  1  0.351  0.649  0.703  1.0
  O  O18  1  0.032  0.968  0.581  1.0
  O  O19  1  0.668  0.332  0.297  1.0
  O  O20  1  0.680  0.320  0.632  1.0
  O  O21  1  0.668  0.332  0.203  1.0
  O  O22  1  0.676  0.324  0.970  1.0
  O  O23  1  0.676  0.324  0.530  1.0
  O  O24  1  0.680  0.320  0.868  1.0
  O  O25  1  0.032  0.968  0.919  1.0
[/CIF]
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