The compound described by HfTiTaMoB4C4 crystallizes in the triclinic P-1 space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 18-coordinate geometry to two equivalent Ti(1), two equivalent Ta(1), two equivalent Mo(1), two equivalent B(1), two equivalent B(2), two equivalent B(4), two equivalent C(1), two equivalent C(2), and two equivalent C(4) atoms. In the second Hf site, Hf(2) is bonded in a 18-coordinate geometry to two equivalent Ti(2), two equivalent Ta(2), two equivalent Mo(2), two equivalent B(1), two equivalent B(3), two equivalent B(4), two equivalent C(1), two equivalent C(3), and two equivalent C(4) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 18-coordinate geometry to two equivalent Hf(1), two equivalent Ta(1), two equivalent Mo(1), two equivalent B(2), two equivalent B(3), two equivalent B(4), two equivalent C(2), two equivalent C(3), and two equivalent C(4) atoms. In the second Ti site, Ti(2) is bonded in a 18-coordinate geometry to two equivalent Hf(2), two equivalent Ta(2), two equivalent Mo(2), two equivalent B(1), two equivalent B(2), two equivalent B(3), two equivalent C(1), two equivalent C(2), and two equivalent C(3) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 18-coordinate geometry to two equivalent Hf(1), two equivalent Ti(1), two equivalent Mo(1), two equivalent B(1), two equivalent B(3), two equivalent B(4), two equivalent C(1), two equivalent C(3), and two equivalent C(4) atoms. In the second Ta site, Ta(2) is bonded in a 18-coordinate geometry to two equivalent Hf(2), two equivalent Ti(2), two equivalent Mo(2), two equivalent B(2), two equivalent B(3), two equivalent B(4), two equivalent C(2), two equivalent C(3), and two equivalent C(4) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 18-coordinate geometry to two equivalent Hf(1), two equivalent Ti(1), two equivalent Ta(1), two equivalent B(1), two equivalent B(2), two equivalent B(3), two equivalent C(1), two equivalent C(2), and two equivalent C(3) atoms. In the second Mo site, Mo(2) is bonded in a 18-coordinate geometry to two equivalent Hf(2), two equivalent Ti(2), two equivalent Ta(2), two equivalent B(1), two equivalent B(2), two equivalent B(4), two equivalent C(1), two equivalent C(2), and two equivalent C(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one Hf(1), one Hf(2), one Ti(2), one Ta(1), one Mo(1), one Mo(2), one C(2), one C(3), and one C(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one Hf(1), one Ti(1), one Ti(2), one Ta(2), one Mo(1), one Mo(2), one C(1), one C(3), and one C(4) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one Hf(2), one Ti(1), one Ti(2), one Ta(1), one Ta(2), one Mo(1), one C(1), one C(2), and one C(4) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one Hf(1), one Hf(2), one Ti(1), one Ta(1), one Ta(2), one Mo(2), one C(1), one C(2), and one C(3) atom. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one Hf(1), one Hf(2), one Ti(2), one Ta(1), one Mo(1), one Mo(2), one B(2), one B(3), and one B(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one Hf(1), one Ti(1), one Ti(2), one Ta(2), one Mo(1), one Mo(2), one B(1), one B(3), and one B(4) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one Hf(2), one Ti(1), one Ti(2), one Ta(1), one Ta(2), one Mo(1), one B(1), one B(2), and one B(4) atom. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one Hf(1), one Hf(2), one Ti(1), one Ta(1), one Ta(2), one Mo(2), one B(1), one B(2), and one B(3) atom. is represented by the CIF card [CIF]
data_HfTaTiB4MoC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.733
_cell_length_b   5.740
_cell_length_c   7.445
_cell_angle_alpha   90.031
_cell_angle_beta   89.986
_cell_angle_gamma   119.955
_symmetry_Int_Tables_number   1
_cell_volume   212.272
_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
  Hf  Hf0  1  0.500  0.000  0.000  1.0
  Hf  Hf1  1  0.000  0.000  0.500  1.0
  Ta  Ta2  1  0.000  0.000  0.000  1.0
  Ta  Ta3  1  0.000  0.500  0.500  1.0
  Ti  Ti4  1  0.000  0.500  0.000  1.0
  Ti  Ti5  1  0.500  0.500  0.500  1.0
  B  B6  1  0.336  0.170  0.748  1.0
  B  B7  1  0.333  0.665  0.748  1.0
  B  B8  1  0.830  0.663  0.752  1.0
  B  B9  1  0.834  0.169  0.751  1.0
  B  B10  1  0.166  0.831  0.249  1.0
  B  B11  1  0.170  0.337  0.248  1.0
  B  B12  1  0.667  0.335  0.252  1.0
  B  B13  1  0.664  0.830  0.252  1.0
  Mo  Mo14  1  0.500  0.500  0.000  1.0
  Mo  Mo15  1  0.500  0.000  0.500  1.0
  C  C16  1  0.333  0.167  0.251  1.0
  C  C17  1  0.332  0.666  0.250  1.0
  C  C18  1  0.833  0.666  0.249  1.0
  C  C19  1  0.835  0.169  0.249  1.0
  C  C20  1  0.165  0.831  0.751  1.0
  C  C21  1  0.167  0.334  0.751  1.0
  C  C22  1  0.668  0.334  0.750  1.0
  C  C23  1  0.667  0.833  0.749  1.0
[/CIF]
.
The compound described by HfTiTaMoB4C4 crystallizes in the triclinic P-1 space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 18-coordinate geometry to two equivalent Ti(1), two equivalent Ta(1), two equivalent Mo(1), two equivalent B(1), two equivalent B(2), two equivalent B(4), two equivalent C(1), two equivalent C(2), and two equivalent C(4) atoms. In the second Hf site, Hf(2) is bonded in a 18-coordinate geometry to two equivalent Ti(2), two equivalent Ta(2), two equivalent Mo(2), two equivalent B(1), two equivalent B(3), two equivalent B(4), two equivalent C(1), two equivalent C(3), and two equivalent C(4) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 18-coordinate geometry to two equivalent Hf(1), two equivalent Ta(1), two equivalent Mo(1), two equivalent B(2), two equivalent B(3), two equivalent B(4), two equivalent C(2), two equivalent C(3), and two equivalent C(4) atoms. In the second Ti site, Ti(2) is bonded in a 18-coordinate geometry to two equivalent Hf(2), two equivalent Ta(2), two equivalent Mo(2), two equivalent B(1), two equivalent B(2), two equivalent B(3), two equivalent C(1), two equivalent C(2), and two equivalent C(3) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 18-coordinate geometry to two equivalent Hf(1), two equivalent Ti(1), two equivalent Mo(1), two equivalent B(1), two equivalent B(3), two equivalent B(4), two equivalent C(1), two equivalent C(3), and two equivalent C(4) atoms. In the second Ta site, Ta(2) is bonded in a 18-coordinate geometry to two equivalent Hf(2), two equivalent Ti(2), two equivalent Mo(2), two equivalent B(2), two equivalent B(3), two equivalent B(4), two equivalent C(2), two equivalent C(3), and two equivalent C(4) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 18-coordinate geometry to two equivalent Hf(1), two equivalent Ti(1), two equivalent Ta(1), two equivalent B(1), two equivalent B(2), two equivalent B(3), two equivalent C(1), two equivalent C(2), and two equivalent C(3) atoms. In the second Mo site, Mo(2) is bonded in a 18-coordinate geometry to two equivalent Hf(2), two equivalent Ti(2), two equivalent Ta(2), two equivalent B(1), two equivalent B(2), two equivalent B(4), two equivalent C(1), two equivalent C(2), and two equivalent C(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one Hf(1), one Hf(2), one Ti(2), one Ta(1), one Mo(1), one Mo(2), one C(2), one C(3), and one C(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one Hf(1), one Ti(1), one Ti(2), one Ta(2), one Mo(1), one Mo(2), one C(1), one C(3), and one C(4) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one Hf(2), one Ti(1), one Ti(2), one Ta(1), one Ta(2), one Mo(1), one C(1), one C(2), and one C(4) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one Hf(1), one Hf(2), one Ti(1), one Ta(1), one Ta(2), one Mo(2), one C(1), one C(2), and one C(3) atom. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one Hf(1), one Hf(2), one Ti(2), one Ta(1), one Mo(1), one Mo(2), one B(2), one B(3), and one B(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one Hf(1), one Ti(1), one Ti(2), one Ta(2), one Mo(1), one Mo(2), one B(1), one B(3), and one B(4) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one Hf(2), one Ti(1), one Ti(2), one Ta(1), one Ta(2), one Mo(1), one B(1), one B(2), and one B(4) atom. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one Hf(1), one Hf(2), one Ti(1), one Ta(1), one Ta(2), one Mo(2), one B(1), one B(2), and one B(3) atom. is represented by the CIF card [CIF]
data_HfTaTiB4MoC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.733
_cell_length_b   5.740
_cell_length_c   7.445
_cell_angle_alpha   90.031
_cell_angle_beta   89.986
_cell_angle_gamma   119.955
_symmetry_Int_Tables_number   1
_cell_volume   212.272
_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
  Hf  Hf0  1  0.500  0.000  0.000  1.0
  Hf  Hf1  1  0.000  0.000  0.500  1.0
  Ta  Ta2  1  0.000  0.000  0.000  1.0
  Ta  Ta3  1  0.000  0.500  0.500  1.0
  Ti  Ti4  1  0.000  0.500  0.000  1.0
  Ti  Ti5  1  0.500  0.500  0.500  1.0
  B  B6  1  0.336  0.170  0.748  1.0
  B  B7  1  0.333  0.665  0.748  1.0
  B  B8  1  0.830  0.663  0.752  1.0
  B  B9  1  0.834  0.169  0.751  1.0
  B  B10  1  0.166  0.831  0.249  1.0
  B  B11  1  0.170  0.337  0.248  1.0
  B  B12  1  0.667  0.335  0.252  1.0
  B  B13  1  0.664  0.830  0.252  1.0
  Mo  Mo14  1  0.500  0.500  0.000  1.0
  Mo  Mo15  1  0.500  0.000  0.500  1.0
  C  C16  1  0.333  0.167  0.251  1.0
  C  C17  1  0.332  0.666  0.250  1.0
  C  C18  1  0.833  0.666  0.249  1.0
  C  C19  1  0.835  0.169  0.249  1.0
  C  C20  1  0.165  0.831  0.751  1.0
  C  C21  1  0.167  0.334  0.751  1.0
  C  C22  1  0.668  0.334  0.750  1.0
  C  C23  1  0.667  0.833  0.749  1.0
[/CIF]
.