The material described by Be(CoO2)2 crystallizes in the orthorhombic Pnma space group. Be(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. In the second Co site, Co(2) is bonded to one O(3), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Co(1) and three equivalent Co(2) atoms to form distorted OCo4 trigonal pyramids that share corners with five equivalent O(3)BeCo3 tetrahedra, corners with five equivalent O(4)BeCo3 tetrahedra, corners with two equivalent O(1)Co4 trigonal pyramids,  an edgeedge with one O(4)BeCo3 tetrahedra, and edges with two equivalent O(1)Co4 trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Be(1) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded to one Be(1), one Co(2), and two equivalent Co(1) atoms to form distorted OBeCo3 tetrahedra that share  a cornercorner with one O(4)BeCo3 tetrahedra, corners with two equivalent O(3)BeCo3 tetrahedra, corners with five equivalent O(1)Co4 trigonal pyramids, and edges with two equivalent O(4)BeCo3 tetrahedra. In the fourth O site, O(4) is bonded to one Be(1), one Co(1), and two equivalent Co(2) atoms to form distorted OBeCo3 tetrahedra that share  a cornercorner with one O(3)BeCo3 tetrahedra, corners with two equivalent O(4)BeCo3 tetrahedra, corners with five equivalent O(1)Co4 trigonal pyramids, edges with two equivalent O(3)BeCo3 tetrahedra, and  an edgeedge with one O(1)Co4 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Be(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.893
_cell_length_b   8.998
_cell_length_c   9.304
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.222
_cell_formula_units_Z   4
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
  Be  Be0  1  0.750  0.646  0.111  1.0
  Be  Be1  1  0.250  0.854  0.611  1.0
  Be  Be2  1  0.750  0.146  0.389  1.0
  Be  Be3  1  0.250  0.354  0.889  1.0
  Co  Co4  1  0.750  0.629  0.799  1.0
  Co  Co5  1  0.750  0.619  0.430  1.0
  Co  Co6  1  0.250  0.881  0.930  1.0
  Co  Co7  1  0.250  0.871  0.299  1.0
  Co  Co8  1  0.750  0.129  0.701  1.0
  Co  Co9  1  0.750  0.119  0.070  1.0
  Co  Co10  1  0.250  0.381  0.570  1.0
  Co  Co11  1  0.250  0.371  0.201  1.0
  O  O12  1  0.750  0.517  0.615  1.0
  O  O13  1  0.750  0.479  0.125  1.0
  O  O14  1  0.250  0.766  0.752  1.0
  O  O15  1  0.750  0.745  0.973  1.0
  O  O16  1  0.250  0.755  0.473  1.0
  O  O17  1  0.750  0.734  0.252  1.0
  O  O18  1  0.250  0.021  0.625  1.0
  O  O19  1  0.250  0.983  0.115  1.0
  O  O20  1  0.750  0.017  0.885  1.0
  O  O21  1  0.750  0.979  0.375  1.0
  O  O22  1  0.250  0.266  0.748  1.0
  O  O23  1  0.750  0.245  0.527  1.0
  O  O24  1  0.250  0.255  0.027  1.0
  O  O25  1  0.750  0.234  0.248  1.0
  O  O26  1  0.250  0.521  0.875  1.0
  O  O27  1  0.250  0.483  0.385  1.0
[/CIF]
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The material described by Be(CoO2)2 crystallizes in the orthorhombic Pnma space group. Be(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. In the second Co site, Co(2) is bonded to one O(3), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Co(1) and three equivalent Co(2) atoms to form distorted OCo4 trigonal pyramids that share corners with five equivalent O(3)BeCo3 tetrahedra, corners with five equivalent O(4)BeCo3 tetrahedra, corners with two equivalent O(1)Co4 trigonal pyramids,  an edgeedge with one O(4)BeCo3 tetrahedra, and edges with two equivalent O(1)Co4 trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Be(1) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded to one Be(1), one Co(2), and two equivalent Co(1) atoms to form distorted OBeCo3 tetrahedra that share  a cornercorner with one O(4)BeCo3 tetrahedra, corners with two equivalent O(3)BeCo3 tetrahedra, corners with five equivalent O(1)Co4 trigonal pyramids, and edges with two equivalent O(4)BeCo3 tetrahedra. In the fourth O site, O(4) is bonded to one Be(1), one Co(1), and two equivalent Co(2) atoms to form distorted OBeCo3 tetrahedra that share  a cornercorner with one O(3)BeCo3 tetrahedra, corners with two equivalent O(4)BeCo3 tetrahedra, corners with five equivalent O(1)Co4 trigonal pyramids, edges with two equivalent O(3)BeCo3 tetrahedra, and  an edgeedge with one O(1)Co4 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Be(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.893
_cell_length_b   8.998
_cell_length_c   9.304
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.222
_cell_formula_units_Z   4
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
  Be  Be0  1  0.750  0.646  0.111  1.0
  Be  Be1  1  0.250  0.854  0.611  1.0
  Be  Be2  1  0.750  0.146  0.389  1.0
  Be  Be3  1  0.250  0.354  0.889  1.0
  Co  Co4  1  0.750  0.629  0.799  1.0
  Co  Co5  1  0.750  0.619  0.430  1.0
  Co  Co6  1  0.250  0.881  0.930  1.0
  Co  Co7  1  0.250  0.871  0.299  1.0
  Co  Co8  1  0.750  0.129  0.701  1.0
  Co  Co9  1  0.750  0.119  0.070  1.0
  Co  Co10  1  0.250  0.381  0.570  1.0
  Co  Co11  1  0.250  0.371  0.201  1.0
  O  O12  1  0.750  0.517  0.615  1.0
  O  O13  1  0.750  0.479  0.125  1.0
  O  O14  1  0.250  0.766  0.752  1.0
  O  O15  1  0.750  0.745  0.973  1.0
  O  O16  1  0.250  0.755  0.473  1.0
  O  O17  1  0.750  0.734  0.252  1.0
  O  O18  1  0.250  0.021  0.625  1.0
  O  O19  1  0.250  0.983  0.115  1.0
  O  O20  1  0.750  0.017  0.885  1.0
  O  O21  1  0.750  0.979  0.375  1.0
  O  O22  1  0.250  0.266  0.748  1.0
  O  O23  1  0.750  0.245  0.527  1.0
  O  O24  1  0.250  0.255  0.027  1.0
  O  O25  1  0.750  0.234  0.248  1.0
  O  O26  1  0.250  0.521  0.875  1.0
  O  O27  1  0.250  0.483  0.385  1.0
[/CIF]
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