The material structure described by Ca2B2O5 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(5) atoms to form a mixture of distorted edge and corner-sharing CaO6 octahedra. The corner-sharing octahedral tilt angles range from 63-74°. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(2), one O(4), two equivalent O(3), and three equivalent O(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded to three equivalent Ca(1) and one B(1) atom to form distorted corner-sharing OCa3B tetrahedra. In the second O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Ca(2) and one B(2) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(1), and one B(2) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(2), and one B(1) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(2), one B(1), and one B(2) atom. is represented by the CIF card [CIF]
data_Ca2B2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.548
_cell_length_b   6.353
_cell_length_c   19.259
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   434.113
_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
  Ca  Ca0  1  0.704  0.701  0.289  1.0
  Ca  Ca1  1  0.796  0.299  0.789  1.0
  Ca  Ca2  1  0.204  0.799  0.711  1.0
  Ca  Ca3  1  0.296  0.201  0.211  1.0
  Ca  Ca4  1  0.202  0.945  0.438  1.0
  Ca  Ca5  1  0.298  0.055  0.938  1.0
  Ca  Ca6  1  0.702  0.555  0.562  1.0
  Ca  Ca7  1  0.798  0.445  0.062  1.0
  B  B8  1  0.815  0.218  0.344  1.0
  B  B9  1  0.685  0.782  0.844  1.0
  B  B10  1  0.315  0.282  0.656  1.0
  B  B11  1  0.185  0.718  0.156  1.0
  B  B12  1  0.856  0.003  0.082  1.0
  B  B13  1  0.644  0.997  0.582  1.0
  B  B14  1  0.356  0.497  0.918  1.0
  B  B15  1  0.144  0.503  0.418  1.0
  O  O16  1  0.201  0.557  0.485  1.0
  O  O17  1  0.299  0.443  0.985  1.0
  O  O18  1  0.701  0.943  0.515  1.0
  O  O19  1  0.799  0.057  0.015  1.0
  O  O20  1  0.206  0.643  0.365  1.0
  O  O21  1  0.294  0.357  0.865  1.0
  O  O22  1  0.706  0.857  0.635  1.0
  O  O23  1  0.794  0.143  0.135  1.0
  O  O24  1  0.686  0.018  0.352  1.0
  O  O25  1  0.814  0.982  0.852  1.0
  O  O26  1  0.186  0.482  0.648  1.0
  O  O27  1  0.314  0.518  0.148  1.0
  O  O28  1  0.997  0.300  0.404  1.0
  O  O29  1  0.503  0.700  0.904  1.0
  O  O30  1  0.497  0.200  0.596  1.0
  O  O31  1  0.003  0.800  0.096  1.0
  O  O32  1  0.791  0.328  0.283  1.0
  O  O33  1  0.709  0.672  0.783  1.0
  O  O34  1  0.291  0.172  0.717  1.0
  O  O35  1  0.209  0.828  0.217  1.0
[/CIF]
.
The material structure described by Ca2B2O5 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(5) atoms to form a mixture of distorted edge and corner-sharing CaO6 octahedra. The corner-sharing octahedral tilt angles range from 63-74°. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(2), one O(4), two equivalent O(3), and three equivalent O(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded to three equivalent Ca(1) and one B(1) atom to form distorted corner-sharing OCa3B tetrahedra. In the second O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Ca(2) and one B(2) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(1), and one B(2) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(2), and one B(1) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(2), one B(1), and one B(2) atom. is represented by the CIF card [CIF]
data_Ca2B2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.548
_cell_length_b   6.353
_cell_length_c   19.259
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   434.113
_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
  Ca  Ca0  1  0.704  0.701  0.289  1.0
  Ca  Ca1  1  0.796  0.299  0.789  1.0
  Ca  Ca2  1  0.204  0.799  0.711  1.0
  Ca  Ca3  1  0.296  0.201  0.211  1.0
  Ca  Ca4  1  0.202  0.945  0.438  1.0
  Ca  Ca5  1  0.298  0.055  0.938  1.0
  Ca  Ca6  1  0.702  0.555  0.562  1.0
  Ca  Ca7  1  0.798  0.445  0.062  1.0
  B  B8  1  0.815  0.218  0.344  1.0
  B  B9  1  0.685  0.782  0.844  1.0
  B  B10  1  0.315  0.282  0.656  1.0
  B  B11  1  0.185  0.718  0.156  1.0
  B  B12  1  0.856  0.003  0.082  1.0
  B  B13  1  0.644  0.997  0.582  1.0
  B  B14  1  0.356  0.497  0.918  1.0
  B  B15  1  0.144  0.503  0.418  1.0
  O  O16  1  0.201  0.557  0.485  1.0
  O  O17  1  0.299  0.443  0.985  1.0
  O  O18  1  0.701  0.943  0.515  1.0
  O  O19  1  0.799  0.057  0.015  1.0
  O  O20  1  0.206  0.643  0.365  1.0
  O  O21  1  0.294  0.357  0.865  1.0
  O  O22  1  0.706  0.857  0.635  1.0
  O  O23  1  0.794  0.143  0.135  1.0
  O  O24  1  0.686  0.018  0.352  1.0
  O  O25  1  0.814  0.982  0.852  1.0
  O  O26  1  0.186  0.482  0.648  1.0
  O  O27  1  0.314  0.518  0.148  1.0
  O  O28  1  0.997  0.300  0.404  1.0
  O  O29  1  0.503  0.700  0.904  1.0
  O  O30  1  0.497  0.200  0.596  1.0
  O  O31  1  0.003  0.800  0.096  1.0
  O  O32  1  0.791  0.328  0.283  1.0
  O  O33  1  0.709  0.672  0.783  1.0
  O  O34  1  0.291  0.172  0.717  1.0
  O  O35  1  0.209  0.828  0.217  1.0
[/CIF]
.