The material described by TiMoAs2 crystallizes in the orthorhombic Pmc2_1 space group. Ti(1) is bonded in a 8-coordinate geometry to two equivalent Mo(1), two equivalent As(2), and four equivalent As(1) atoms. Mo(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent As(1), and four equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to four equivalent Ti(1) and two equivalent Mo(1) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to two equivalent Ti(1) and four equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_TiMoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.420
_cell_length_b   6.112
_cell_length_c   6.447
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   134.749
_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
  Ti  Ti0  1  0.000  0.505  0.435  1.0
  Ti  Ti1  1  0.000  0.005  0.565  1.0
  Mo  Mo2  1  0.500  0.492  0.061  1.0
  Mo  Mo3  1  0.500  0.992  0.939  1.0
  As  As4  1  0.500  0.304  0.680  1.0
  As  As5  1  0.500  0.804  0.320  1.0
  As  As6  1  0.000  0.699  0.825  1.0
  As  As7  1  0.000  0.199  0.175  1.0
[/CIF]
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The material described by TiMoAs2 crystallizes in the orthorhombic Pmc2_1 space group. Ti(1) is bonded in a 8-coordinate geometry to two equivalent Mo(1), two equivalent As(2), and four equivalent As(1) atoms. Mo(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent As(1), and four equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to four equivalent Ti(1) and two equivalent Mo(1) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to two equivalent Ti(1) and four equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_TiMoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.420
_cell_length_b   6.112
_cell_length_c   6.447
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   134.749
_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
  Ti  Ti0  1  0.000  0.505  0.435  1.0
  Ti  Ti1  1  0.000  0.005  0.565  1.0
  Mo  Mo2  1  0.500  0.492  0.061  1.0
  Mo  Mo3  1  0.500  0.992  0.939  1.0
  As  As4  1  0.500  0.304  0.680  1.0
  As  As5  1  0.500  0.804  0.320  1.0
  As  As6  1  0.000  0.699  0.825  1.0
  As  As7  1  0.000  0.199  0.175  1.0
[/CIF]
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