The material described by Be2U4C5 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a linear geometry to two equivalent C(1) atoms. In the second Be site, Be(2) is bonded in a linear geometry to two equivalent C(2) atoms. There are two inequivalent U sites. In the first U site, U(1) is bonded to one C(3), two equivalent C(2), and three equivalent C(1) atoms to form UC6 octahedra that share corners with five equivalent U(1)C6 octahedra, edges with two equivalent U(1)C6 octahedra, and edges with six equivalent U(2)C5 square pyramids. The corner-sharing octahedral tilt angles range from 0-8°. In the second U site, U(2) is bonded to two equivalent C(1) and three equivalent C(2) atoms to form UC5 square pyramids that share corners with four equivalent U(2)C5 square pyramids, edges with six equivalent U(1)C6 octahedra, and edges with two equivalent U(2)C5 square pyramids. There are three inequivalent C sites. In the first C site, C(1) is bonded to one Be(1), two equivalent U(2), and three equivalent U(1) atoms to form a mixture of corner and edge-sharing CU5Be octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second C site, C(2) is bonded to one Be(2), two equivalent U(1), and three equivalent U(2) atoms to form a mixture of corner and edge-sharing CU5Be octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third C site, C(3) is bonded in a linear geometry to two equivalent U(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U4Be2C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.667
_cell_length_b   6.667
_cell_length_c   5.000
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   135.736
_symmetry_Int_Tables_number   1
_cell_volume   155.102
_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
  U  U0  1  0.839  0.161  0.500  1.0
  U  U1  1  0.352  0.648  0.000  1.0
  U  U2  1  0.648  0.352  0.000  1.0
  U  U3  1  0.161  0.839  0.500  1.0
  Be  Be4  1  0.500  0.500  0.500  1.0
  Be  Be5  1  0.000  0.000  0.000  1.0
  C  C6  1  0.647  0.353  0.500  1.0
  C  C7  1  0.153  0.847  0.000  1.0
  C  C8  1  0.353  0.647  0.500  1.0
  C  C9  1  0.847  0.153  0.000  1.0
  C  C10  1  0.000  0.000  0.500  1.0
[/CIF]
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The material described by Be2U4C5 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a linear geometry to two equivalent C(1) atoms. In the second Be site, Be(2) is bonded in a linear geometry to two equivalent C(2) atoms. There are two inequivalent U sites. In the first U site, U(1) is bonded to one C(3), two equivalent C(2), and three equivalent C(1) atoms to form UC6 octahedra that share corners with five equivalent U(1)C6 octahedra, edges with two equivalent U(1)C6 octahedra, and edges with six equivalent U(2)C5 square pyramids. The corner-sharing octahedral tilt angles range from 0-8°. In the second U site, U(2) is bonded to two equivalent C(1) and three equivalent C(2) atoms to form UC5 square pyramids that share corners with four equivalent U(2)C5 square pyramids, edges with six equivalent U(1)C6 octahedra, and edges with two equivalent U(2)C5 square pyramids. There are three inequivalent C sites. In the first C site, C(1) is bonded to one Be(1), two equivalent U(2), and three equivalent U(1) atoms to form a mixture of corner and edge-sharing CU5Be octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second C site, C(2) is bonded to one Be(2), two equivalent U(1), and three equivalent U(2) atoms to form a mixture of corner and edge-sharing CU5Be octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third C site, C(3) is bonded in a linear geometry to two equivalent U(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U4Be2C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.667
_cell_length_b   6.667
_cell_length_c   5.000
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   135.736
_symmetry_Int_Tables_number   1
_cell_volume   155.102
_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
  U  U0  1  0.839  0.161  0.500  1.0
  U  U1  1  0.352  0.648  0.000  1.0
  U  U2  1  0.648  0.352  0.000  1.0
  U  U3  1  0.161  0.839  0.500  1.0
  Be  Be4  1  0.500  0.500  0.500  1.0
  Be  Be5  1  0.000  0.000  0.000  1.0
  C  C6  1  0.647  0.353  0.500  1.0
  C  C7  1  0.153  0.847  0.000  1.0
  C  C8  1  0.353  0.647  0.500  1.0
  C  C9  1  0.847  0.153  0.000  1.0
  C  C10  1  0.000  0.000  0.500  1.0
[/CIF]
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