The compound described by TiVMn2As4 is Caswellsilverite-derived structured and crystallizes in the monoclinic P2/m space group. Ti(1) is bonded to two equivalent As(2) and four equivalent As(1) atoms to form TiAs6 octahedra that share corners with four equivalent Mn(2)As6 octahedra, corners with eight equivalent V(1)As6 octahedra, edges with two equivalent Ti(1)As6 octahedra, edges with four equivalent Mn(1)As6 octahedra, and faces with two equivalent Mn(2)As6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. V(1) is bonded to two equivalent As(1) and four equivalent As(2) atoms to form VAs6 octahedra that share corners with four equivalent Mn(1)As6 octahedra, corners with eight equivalent Ti(1)As6 octahedra, edges with two equivalent V(1)As6 octahedra, edges with four equivalent Mn(2)As6 octahedra, and faces with two equivalent Mn(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent As(1) and four equivalent As(2) atoms to form MnAs6 octahedra that share corners with four equivalent V(1)As6 octahedra, corners with eight equivalent Mn(2)As6 octahedra, edges with two equivalent Mn(1)As6 octahedra, edges with four equivalent Ti(1)As6 octahedra, and faces with two equivalent V(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. In the second Mn site, Mn(2) is bonded to two equivalent As(2) and four equivalent As(1) atoms to form MnAs6 octahedra that share corners with four equivalent Ti(1)As6 octahedra, corners with eight equivalent Mn(1)As6 octahedra, edges with two equivalent Mn(2)As6 octahedra, edges with four equivalent V(1)As6 octahedra, and faces with two equivalent Ti(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. There are two inequivalent As sites. In the first As site, As(1) is bonded to two equivalent Ti(1), one V(1), one Mn(1), and two equivalent Mn(2) atoms to form a mixture of distorted edge and corner-sharing AsTi2Mn3V pentagonal pyramids. In the second As site, As(2) is bonded in a 6-coordinate geometry to one Ti(1), two equivalent V(1), one Mn(2), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_TiMn2VAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.607
_cell_length_b   5.809
_cell_length_c   6.400
_cell_angle_alpha   89.784
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   134.095
_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
  Ti  Ti0  1  0.000  0.500  0.000  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  V  V3  1  0.500  0.000  0.500  1.0
  As  As4  1  0.500  0.759  0.827  1.0
  As  As5  1  0.000  0.752  0.333  1.0
  As  As6  1  0.000  0.248  0.667  1.0
  As  As7  1  0.500  0.241  0.173  1.0
[/CIF]
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The compound described by TiVMn2As4 is Caswellsilverite-derived structured and crystallizes in the monoclinic P2/m space group. Ti(1) is bonded to two equivalent As(2) and four equivalent As(1) atoms to form TiAs6 octahedra that share corners with four equivalent Mn(2)As6 octahedra, corners with eight equivalent V(1)As6 octahedra, edges with two equivalent Ti(1)As6 octahedra, edges with four equivalent Mn(1)As6 octahedra, and faces with two equivalent Mn(2)As6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. V(1) is bonded to two equivalent As(1) and four equivalent As(2) atoms to form VAs6 octahedra that share corners with four equivalent Mn(1)As6 octahedra, corners with eight equivalent Ti(1)As6 octahedra, edges with two equivalent V(1)As6 octahedra, edges with four equivalent Mn(2)As6 octahedra, and faces with two equivalent Mn(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent As(1) and four equivalent As(2) atoms to form MnAs6 octahedra that share corners with four equivalent V(1)As6 octahedra, corners with eight equivalent Mn(2)As6 octahedra, edges with two equivalent Mn(1)As6 octahedra, edges with four equivalent Ti(1)As6 octahedra, and faces with two equivalent V(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. In the second Mn site, Mn(2) is bonded to two equivalent As(2) and four equivalent As(1) atoms to form MnAs6 octahedra that share corners with four equivalent Ti(1)As6 octahedra, corners with eight equivalent Mn(1)As6 octahedra, edges with two equivalent Mn(2)As6 octahedra, edges with four equivalent V(1)As6 octahedra, and faces with two equivalent Ti(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. There are two inequivalent As sites. In the first As site, As(1) is bonded to two equivalent Ti(1), one V(1), one Mn(1), and two equivalent Mn(2) atoms to form a mixture of distorted edge and corner-sharing AsTi2Mn3V pentagonal pyramids. In the second As site, As(2) is bonded in a 6-coordinate geometry to one Ti(1), two equivalent V(1), one Mn(2), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_TiMn2VAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.607
_cell_length_b   5.809
_cell_length_c   6.400
_cell_angle_alpha   89.784
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   134.095
_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
  Ti  Ti0  1  0.000  0.500  0.000  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  V  V3  1  0.500  0.000  0.500  1.0
  As  As4  1  0.500  0.759  0.827  1.0
  As  As5  1  0.000  0.752  0.333  1.0
  As  As6  1  0.000  0.248  0.667  1.0
  As  As7  1  0.500  0.241  0.173  1.0
[/CIF]
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