The crystal structure described by BeNd3CrS7 crystallizes in the hexagonal P6_3 space group. Be(1) is bonded to one S(3) and three equivalent S(2) atoms to form BeS4 tetrahedra that share corners with six equivalent Nd(1)S7 pentagonal bipyramids and edges with three equivalent Nd(1)S7 pentagonal bipyramids. Nd(1) is bonded to one S(3), three equivalent S(1), and three equivalent S(2) atoms to form distorted NdS7 pentagonal bipyramids that share  a cornercorner with one Cr(1)S6 octahedra, corners with six equivalent Nd(1)S7 pentagonal bipyramids, corners with two equivalent Be(1)S4 tetrahedra,  an edgeedge with one Cr(1)S6 octahedra, edges with four equivalent Nd(1)S7 pentagonal bipyramids,  an edgeedge with one Be(1)S4 tetrahedra, and  a faceface with one Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 21°. Cr(1) is bonded to six equivalent S(1) atoms to form CrS6 octahedra that share corners with three equivalent Nd(1)S7 pentagonal bipyramids, edges with three equivalent Nd(1)S7 pentagonal bipyramids, faces with two equivalent Cr(1)S6 octahedra, and faces with three equivalent Nd(1)S7 pentagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Nd(1) and two equivalent Cr(1) atoms to form distorted SNd3Cr2 square pyramids that share corners with two equivalent S(1)Nd3Cr2 square pyramids, corners with three equivalent S(3)Nd3Be trigonal pyramids, edges with four equivalent S(1)Nd3Cr2 square pyramids, and faces with two equivalent S(1)Nd3Cr2 square pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Be(1) and three equivalent Nd(1) atoms. In the third S site, S(3) is bonded to one Be(1) and three equivalent Nd(1) atoms to form distorted corner-sharing SNd3Be trigonal pyramids. is represented by the CIF file [CIF]
data_Nd3BeCrS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.867
_cell_length_b   9.867
_cell_length_c   6.099
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   514.253
_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
  Nd  Nd0  1  0.846  0.239  0.270  1.0
  Nd  Nd1  1  0.761  0.607  0.270  1.0
  Nd  Nd2  1  0.393  0.154  0.270  1.0
  Nd  Nd3  1  0.154  0.761  0.770  1.0
  Nd  Nd4  1  0.239  0.393  0.770  1.0
  Nd  Nd5  1  0.607  0.846  0.770  1.0
  Be  Be6  1  0.667  0.333  0.855  1.0
  Be  Be7  1  0.333  0.667  0.355  1.0
  Cr  Cr8  1  0.000  0.000  0.453  1.0
  Cr  Cr9  1  0.000  0.000  0.953  1.0
  S  S10  1  0.912  0.132  0.696  1.0
  S  S11  1  0.868  0.779  0.696  1.0
  S  S12  1  0.221  0.088  0.696  1.0
  S  S13  1  0.088  0.868  0.196  1.0
  S  S14  1  0.132  0.221  0.196  1.0
  S  S15  1  0.779  0.912  0.196  1.0
  S  S16  1  0.580  0.104  0.984  1.0
  S  S17  1  0.896  0.476  0.984  1.0
  S  S18  1  0.524  0.420  0.984  1.0
  S  S19  1  0.420  0.896  0.484  1.0
  S  S20  1  0.104  0.524  0.484  1.0
  S  S21  1  0.476  0.580  0.484  1.0
  S  S22  1  0.667  0.333  0.510  1.0
  S  S23  1  0.333  0.667  0.010  1.0
[/CIF]
.
The crystal structure described by BeNd3CrS7 crystallizes in the hexagonal P6_3 space group. Be(1) is bonded to one S(3) and three equivalent S(2) atoms to form BeS4 tetrahedra that share corners with six equivalent Nd(1)S7 pentagonal bipyramids and edges with three equivalent Nd(1)S7 pentagonal bipyramids. Nd(1) is bonded to one S(3), three equivalent S(1), and three equivalent S(2) atoms to form distorted NdS7 pentagonal bipyramids that share  a cornercorner with one Cr(1)S6 octahedra, corners with six equivalent Nd(1)S7 pentagonal bipyramids, corners with two equivalent Be(1)S4 tetrahedra,  an edgeedge with one Cr(1)S6 octahedra, edges with four equivalent Nd(1)S7 pentagonal bipyramids,  an edgeedge with one Be(1)S4 tetrahedra, and  a faceface with one Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 21°. Cr(1) is bonded to six equivalent S(1) atoms to form CrS6 octahedra that share corners with three equivalent Nd(1)S7 pentagonal bipyramids, edges with three equivalent Nd(1)S7 pentagonal bipyramids, faces with two equivalent Cr(1)S6 octahedra, and faces with three equivalent Nd(1)S7 pentagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Nd(1) and two equivalent Cr(1) atoms to form distorted SNd3Cr2 square pyramids that share corners with two equivalent S(1)Nd3Cr2 square pyramids, corners with three equivalent S(3)Nd3Be trigonal pyramids, edges with four equivalent S(1)Nd3Cr2 square pyramids, and faces with two equivalent S(1)Nd3Cr2 square pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Be(1) and three equivalent Nd(1) atoms. In the third S site, S(3) is bonded to one Be(1) and three equivalent Nd(1) atoms to form distorted corner-sharing SNd3Be trigonal pyramids. is represented by the CIF file [CIF]
data_Nd3BeCrS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.867
_cell_length_b   9.867
_cell_length_c   6.099
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   514.253
_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
  Nd  Nd0  1  0.846  0.239  0.270  1.0
  Nd  Nd1  1  0.761  0.607  0.270  1.0
  Nd  Nd2  1  0.393  0.154  0.270  1.0
  Nd  Nd3  1  0.154  0.761  0.770  1.0
  Nd  Nd4  1  0.239  0.393  0.770  1.0
  Nd  Nd5  1  0.607  0.846  0.770  1.0
  Be  Be6  1  0.667  0.333  0.855  1.0
  Be  Be7  1  0.333  0.667  0.355  1.0
  Cr  Cr8  1  0.000  0.000  0.453  1.0
  Cr  Cr9  1  0.000  0.000  0.953  1.0
  S  S10  1  0.912  0.132  0.696  1.0
  S  S11  1  0.868  0.779  0.696  1.0
  S  S12  1  0.221  0.088  0.696  1.0
  S  S13  1  0.088  0.868  0.196  1.0
  S  S14  1  0.132  0.221  0.196  1.0
  S  S15  1  0.779  0.912  0.196  1.0
  S  S16  1  0.580  0.104  0.984  1.0
  S  S17  1  0.896  0.476  0.984  1.0
  S  S18  1  0.524  0.420  0.984  1.0
  S  S19  1  0.420  0.896  0.484  1.0
  S  S20  1  0.104  0.524  0.484  1.0
  S  S21  1  0.476  0.580  0.484  1.0
  S  S22  1  0.667  0.333  0.510  1.0
  S  S23  1  0.333  0.667  0.010  1.0
[/CIF]
.