data_Sm2BO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2BO4
_chemical_formula_sum   'Sm4 B2 O8'
_cell_volume   168.02
_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  Sm10  1  0.28  0.28  0.47  1.0
  Sm  Sm11  1  0.47  0.47  0.47  1.0
  Sm  Sm12  1  0.28  0.47  0.28  1.0
  Sm  Sm13  1  0.47  0.28  0.28  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.19  0.19  0.19  1.0
  O  O2  1  0.27  0.27  0.87  1.0
  O  O3  1  0.68  0.08  0.68  1.0
  O  O4  1  0.08  0.08  0.08  1.0
  O  O5  1  0.08  0.68  0.68  1.0
  O  O6  1  0.87  0.87  0.87  1.0
  O  O7  1  0.87  0.27  0.27  1.0
  O  O8  1  0.27  0.87  0.27  1.0
  O  O9  1  0.68  0.68  0.08  1.0

data_Sm2BO4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   15.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sm2BO4
_chemical_formula_sum   'Sm12 B6 O24'
_cell_volume   504.07
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.06  0.13  0.65  1.0
  Sm  Sm1  3  0.0  0.0  0.53  1.0
  B  B2  3  0.0  0.0  0.0  1.0
  B  B3  3  0.0  0.0  0.81  1.0
  O  O4  9  0.07  0.53  0.85  1.0
  O  O5  9  0.2  0.4  0.53  1.0
  O  O6  3  0.0  0.0  0.13  1.0
  O  O7  3  0.0  0.0  0.92  1.0

Sm Sm Sm Sm B B O O O O O O O O
Sm2BO4 crystallizes in the trigonal R3m space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one Sm(2), two equivalent Sm(1), one B(1), one B(2), one O(1), and two equivalent O(2) atoms. The Sm(1)-Sm(2) bond length is 2.04 Å. Both Sm(1)-Sm(1) bond lengths are 1.18 Å. The Sm(1)-B(1) bond length is 2.91 Å. The Sm(1)-B(2) bond length is 2.49 Å. The Sm(1)-O(1) bond length is 2.36 Å. Both Sm(1)-O(2) bond lengths are 2.75 Å. In the second Sm site, Sm(2) is bonded in a hexagonal planar geometry to three equivalent Sm(1), three equivalent O(1), and three equivalent O(2) atoms. All Sm(2)-O(1) bond lengths are 2.14 Å. All Sm(2)-O(2) bond lengths are 2.14 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a distorted linear geometry to three equivalent Sm(1), one O(3), and one O(4) atom. The B(1)-O(3) bond length is 1.23 Å. The B(1)-O(4) bond length is 1.99 Å. In the second B site, B(2) is bonded in a 4-coordinate geometry to three equivalent Sm(1), one O(3), and three equivalent O(1) atoms. The B(2)-O(3) bond length is 1.66 Å. All B(2)-O(1) bond lengths are 1.65 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sm(1), one Sm(2), one B(2), and one O(3) atom. The O(1)-O(3) bond length is 1.67 Å. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sm(2), two equivalent Sm(1), and one O(4) atom. The O(2)-O(4) bond length is 1.67 Å. In the third O site, O(3) is bonded in a distorted linear geometry to one B(1), one B(2), and three equivalent O(1) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one B(1) and three equivalent O(2) atoms.