The compound described by Sm2B4O9 crystallizes in the triclinic P-1 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(5), one O(7), one O(9), two equivalent O(1), and two equivalent O(4) atoms. In the second Sm site, Sm(2) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), one O(9), two equivalent O(7), and two equivalent O(8) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(6) atom. In the second B site, B(2) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(4), one O(5), one O(7), and one O(9) atom to form corner-sharing BO4 tetrahedra. In the fourth B site, B(4) is bonded to one O(3), one O(6), one O(8), and one O(9) atom to form corner-sharing BO4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Sm(2), two equivalent Sm(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sm(1), one Sm(2), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sm(1), one B(2), and one B(4) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Sm(2), two equivalent Sm(1), and one B(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Sm(1), one Sm(2), one B(2), and one B(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Sm(2), one B(1), and one B(4) atom. In the seventh O site, O(7) is bonded to one Sm(1), two equivalent Sm(2), and one B(3) atom to form distorted edge-sharing OSm3B tetrahedra. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to two equivalent Sm(2), one B(2), and one B(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Sm(1), one Sm(2), one B(3), and one B(4) atom. is represented by the CIF card [CIF]
data_Sm2B4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.225
_cell_length_b   6.515
_cell_length_c   7.566
_cell_angle_alpha   102.217
_cell_angle_beta   96.984
_cell_angle_gamma   102.567
_symmetry_Int_Tables_number   1
_cell_volume   288.144
_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  0.113  0.323  0.643  1.0
  Sm  Sm1  1  0.454  0.908  0.716  1.0
  Sm  Sm2  1  0.546  0.092  0.284  1.0
  Sm  Sm3  1  0.887  0.677  0.357  1.0
  B  B4  1  0.005  0.850  0.813  1.0
  B  B5  1  0.271  0.665  0.019  1.0
  B  B6  1  0.374  0.643  0.347  1.0
  B  B7  1  0.338  0.322  0.074  1.0
  B  B8  1  0.662  0.678  0.926  1.0
  B  B9  1  0.626  0.357  0.653  1.0
  B  B10  1  0.729  0.335  0.981  1.0
  B  B11  1  0.995  0.150  0.187  1.0
  O  O12  1  0.065  0.950  0.678  1.0
  O  O13  1  0.140  0.718  0.861  1.0
  O  O14  1  0.228  0.432  0.962  1.0
  O  O15  1  0.222  0.593  0.474  1.0
  O  O16  1  0.239  0.735  0.209  1.0
  O  O17  1  0.186  0.137  0.118  1.0
  O  O18  1  0.424  0.185  0.559  1.0
  O  O19  1  0.495  0.216  0.983  1.0
  O  O20  1  0.542  0.536  0.749  1.0
  O  O21  1  0.458  0.464  0.251  1.0
  O  O22  1  0.505  0.784  0.017  1.0
  O  O23  1  0.576  0.815  0.441  1.0
  O  O24  1  0.814  0.863  0.882  1.0
  O  O25  1  0.761  0.265  0.791  1.0
  O  O26  1  0.778  0.407  0.526  1.0
  O  O27  1  0.772  0.568  0.038  1.0
  O  O28  1  0.860  0.282  0.139  1.0
  O  O29  1  0.935  0.050  0.322  1.0
[/CIF]
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The compound described by Sm2B4O9 crystallizes in the triclinic P-1 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(5), one O(7), one O(9), two equivalent O(1), and two equivalent O(4) atoms. In the second Sm site, Sm(2) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), one O(9), two equivalent O(7), and two equivalent O(8) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(6) atom. In the second B site, B(2) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(4), one O(5), one O(7), and one O(9) atom to form corner-sharing BO4 tetrahedra. In the fourth B site, B(4) is bonded to one O(3), one O(6), one O(8), and one O(9) atom to form corner-sharing BO4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Sm(2), two equivalent Sm(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sm(1), one Sm(2), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sm(1), one B(2), and one B(4) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Sm(2), two equivalent Sm(1), and one B(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Sm(1), one Sm(2), one B(2), and one B(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Sm(2), one B(1), and one B(4) atom. In the seventh O site, O(7) is bonded to one Sm(1), two equivalent Sm(2), and one B(3) atom to form distorted edge-sharing OSm3B tetrahedra. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to two equivalent Sm(2), one B(2), and one B(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Sm(1), one Sm(2), one B(3), and one B(4) atom. is represented by the CIF card [CIF]
data_Sm2B4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.225
_cell_length_b   6.515
_cell_length_c   7.566
_cell_angle_alpha   102.217
_cell_angle_beta   96.984
_cell_angle_gamma   102.567
_symmetry_Int_Tables_number   1
_cell_volume   288.144
_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  0.113  0.323  0.643  1.0
  Sm  Sm1  1  0.454  0.908  0.716  1.0
  Sm  Sm2  1  0.546  0.092  0.284  1.0
  Sm  Sm3  1  0.887  0.677  0.357  1.0
  B  B4  1  0.005  0.850  0.813  1.0
  B  B5  1  0.271  0.665  0.019  1.0
  B  B6  1  0.374  0.643  0.347  1.0
  B  B7  1  0.338  0.322  0.074  1.0
  B  B8  1  0.662  0.678  0.926  1.0
  B  B9  1  0.626  0.357  0.653  1.0
  B  B10  1  0.729  0.335  0.981  1.0
  B  B11  1  0.995  0.150  0.187  1.0
  O  O12  1  0.065  0.950  0.678  1.0
  O  O13  1  0.140  0.718  0.861  1.0
  O  O14  1  0.228  0.432  0.962  1.0
  O  O15  1  0.222  0.593  0.474  1.0
  O  O16  1  0.239  0.735  0.209  1.0
  O  O17  1  0.186  0.137  0.118  1.0
  O  O18  1  0.424  0.185  0.559  1.0
  O  O19  1  0.495  0.216  0.983  1.0
  O  O20  1  0.542  0.536  0.749  1.0
  O  O21  1  0.458  0.464  0.251  1.0
  O  O22  1  0.505  0.784  0.017  1.0
  O  O23  1  0.576  0.815  0.441  1.0
  O  O24  1  0.814  0.863  0.882  1.0
  O  O25  1  0.761  0.265  0.791  1.0
  O  O26  1  0.778  0.407  0.526  1.0
  O  O27  1  0.772  0.568  0.038  1.0
  O  O28  1  0.860  0.282  0.139  1.0
  O  O29  1  0.935  0.050  0.322  1.0
[/CIF]
.