data_SrBMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBMo2
_chemical_formula_sum   'Sr1 B1 Mo2'
_cell_volume   62.84
_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  Sr3  1  0.16  0.16  0.16  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.58  0.58  0.58  1.0
  Mo  Mo2  1  0.73  0.73  0.73  1.0

data_SrBMo2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   10.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrBMo2
_chemical_formula_sum   'Sr3 B3 Mo6'
_cell_volume   188.53
_cell_formula_units_Z   3
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
  Sr  Sr0  3  0.0  0.0  0.84  1.0
  B  B1  3  0.0  0.0  0.0  1.0
  Mo  Mo2  3  0.0  0.0  0.27  1.0
  Mo  Mo3  3  0.0  0.0  0.42  1.0

Sr B Mo Mo
Sr B Mo Mo 0 1 o o o 2 3 o o o 
SrMo2B crystallizes in the trigonal R3m space group. Sr(1) is bonded in a distorted single-bond geometry to three equivalent Mo(1), three equivalent Mo(2), and one B(1) atom. All Sr(1)-Mo(1) bond lengths are 2.75 Å. All Sr(1)-Mo(2) bond lengths are 2.75 Å. The Sr(1)-B(1) bond length is 1.70 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to three equivalent Sr(1) and one Mo(2) atom to form distorted corner-sharing MoSr3Mo tetrahedra. The Mo(1)-Mo(2) bond length is 1.70 Å. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and one Mo(1) atom. B(1) is bonded in a single-bond geometry to one Sr(1) atom.