The crystal structure described by Ca(ReO5)2 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a 8-coordinate geometry to one O(10), one O(2), one O(5), one O(6), one O(7), one O(9), and two equivalent O(4) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(5), and one O(8) atom. In the second Re site, Re(2) is bonded in a tetrahedral geometry to one O(1), one O(10), one O(6), and one O(7) atom. There are ten inequivalent O sites. In the first O site, O(3) is bonded in a single-bond geometry to one Re(1) atom. In the second O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent Ca(1) atoms. In the third O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one Re(1) atom. In the fourth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one Re(2) atom. In the fifth O site, O(10) is bonded in a linear geometry to one Ca(1) and one Re(2) atom. In the sixth O site, O(7) is bonded in a linear geometry to one Ca(1) and one Re(2) atom. In the seventh O site, O(8) is bonded in a single-bond geometry to one Re(1) atom. In the eighth O site, O(1) is bonded in a single-bond geometry to one Re(2) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Ca(1) atom. In the tenth O site, O(2) is bonded in a bent 150 degrees geometry to one Ca(1) and one Re(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(ReO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.548
_cell_length_b   10.548
_cell_length_c   14.323
_cell_angle_alpha   66.846
_cell_angle_beta   66.846
_cell_angle_gamma   40.096
_symmetry_Int_Tables_number   1
_cell_volume   932.184
_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  0.734  0.986  0.447  1.0
  Ca  Ca1  1  0.014  0.266  0.053  1.0
  Ca  Ca2  1  0.266  0.014  0.553  1.0
  Ca  Ca3  1  0.986  0.734  0.947  1.0
  Re  Re4  1  0.819  0.533  0.423  1.0
  Re  Re5  1  0.467  0.181  0.077  1.0
  Re  Re6  1  0.181  0.467  0.577  1.0
  Re  Re7  1  0.533  0.819  0.923  1.0
  Re  Re8  1  0.817  0.036  0.683  1.0
  Re  Re9  1  0.964  0.183  0.817  1.0
  Re  Re10  1  0.183  0.964  0.317  1.0
  Re  Re11  1  0.036  0.817  0.183  1.0
  O  O12  1  0.751  0.405  0.764  1.0
  O  O13  1  0.595  0.249  0.736  1.0
  O  O14  1  0.249  0.595  0.236  1.0
  O  O15  1  0.405  0.751  0.264  1.0
  O  O16  1  0.009  0.639  0.491  1.0
  O  O17  1  0.361  0.991  0.009  1.0
  O  O18  1  0.991  0.361  0.509  1.0
  O  O19  1  0.639  0.009  0.991  1.0
  O  O20  1  0.943  0.534  0.300  1.0
  O  O21  1  0.466  0.057  0.200  1.0
  O  O22  1  0.057  0.466  0.700  1.0
  O  O23  1  0.534  0.943  0.800  1.0
  O  O24  1  0.132  0.422  0.905  1.0
  O  O25  1  0.578  0.868  0.595  1.0
  O  O26  1  0.868  0.578  0.095  1.0
  O  O27  1  0.422  0.132  0.405  1.0
  O  O28  1  0.221  0.382  0.041  1.0
  O  O29  1  0.618  0.779  0.459  1.0
  O  O30  1  0.779  0.618  0.959  1.0
  O  O31  1  0.382  0.221  0.541  1.0
  O  O32  1  0.084  0.173  0.220  1.0
  O  O33  1  0.827  0.916  0.280  1.0
  O  O34  1  0.916  0.827  0.780  1.0
  O  O35  1  0.173  0.084  0.720  1.0
  O  O36  1  0.988  0.049  0.630  1.0
  O  O37  1  0.951  0.012  0.870  1.0
  O  O38  1  0.012  0.951  0.370  1.0
  O  O39  1  0.049  0.988  0.130  1.0
  O  O40  1  0.277  0.546  0.577  1.0
  O  O41  1  0.454  0.723  0.923  1.0
  O  O42  1  0.723  0.454  0.423  1.0
  O  O43  1  0.546  0.277  0.077  1.0
  O  O44  1  0.347  0.544  0.887  1.0
  O  O45  1  0.456  0.653  0.613  1.0
  O  O46  1  0.653  0.456  0.113  1.0
  O  O47  1  0.544  0.347  0.387  1.0
  O  O48  1  0.985  0.229  0.914  1.0
  O  O49  1  0.771  0.015  0.586  1.0
  O  O50  1  0.015  0.771  0.086  1.0
  O  O51  1  0.229  0.985  0.414  1.0
[/CIF]
.
The crystal structure described by Ca(ReO5)2 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a 8-coordinate geometry to one O(10), one O(2), one O(5), one O(6), one O(7), one O(9), and two equivalent O(4) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(5), and one O(8) atom. In the second Re site, Re(2) is bonded in a tetrahedral geometry to one O(1), one O(10), one O(6), and one O(7) atom. There are ten inequivalent O sites. In the first O site, O(3) is bonded in a single-bond geometry to one Re(1) atom. In the second O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent Ca(1) atoms. In the third O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one Re(1) atom. In the fourth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one Re(2) atom. In the fifth O site, O(10) is bonded in a linear geometry to one Ca(1) and one Re(2) atom. In the sixth O site, O(7) is bonded in a linear geometry to one Ca(1) and one Re(2) atom. In the seventh O site, O(8) is bonded in a single-bond geometry to one Re(1) atom. In the eighth O site, O(1) is bonded in a single-bond geometry to one Re(2) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Ca(1) atom. In the tenth O site, O(2) is bonded in a bent 150 degrees geometry to one Ca(1) and one Re(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(ReO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.548
_cell_length_b   10.548
_cell_length_c   14.323
_cell_angle_alpha   66.846
_cell_angle_beta   66.846
_cell_angle_gamma   40.096
_symmetry_Int_Tables_number   1
_cell_volume   932.184
_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  0.734  0.986  0.447  1.0
  Ca  Ca1  1  0.014  0.266  0.053  1.0
  Ca  Ca2  1  0.266  0.014  0.553  1.0
  Ca  Ca3  1  0.986  0.734  0.947  1.0
  Re  Re4  1  0.819  0.533  0.423  1.0
  Re  Re5  1  0.467  0.181  0.077  1.0
  Re  Re6  1  0.181  0.467  0.577  1.0
  Re  Re7  1  0.533  0.819  0.923  1.0
  Re  Re8  1  0.817  0.036  0.683  1.0
  Re  Re9  1  0.964  0.183  0.817  1.0
  Re  Re10  1  0.183  0.964  0.317  1.0
  Re  Re11  1  0.036  0.817  0.183  1.0
  O  O12  1  0.751  0.405  0.764  1.0
  O  O13  1  0.595  0.249  0.736  1.0
  O  O14  1  0.249  0.595  0.236  1.0
  O  O15  1  0.405  0.751  0.264  1.0
  O  O16  1  0.009  0.639  0.491  1.0
  O  O17  1  0.361  0.991  0.009  1.0
  O  O18  1  0.991  0.361  0.509  1.0
  O  O19  1  0.639  0.009  0.991  1.0
  O  O20  1  0.943  0.534  0.300  1.0
  O  O21  1  0.466  0.057  0.200  1.0
  O  O22  1  0.057  0.466  0.700  1.0
  O  O23  1  0.534  0.943  0.800  1.0
  O  O24  1  0.132  0.422  0.905  1.0
  O  O25  1  0.578  0.868  0.595  1.0
  O  O26  1  0.868  0.578  0.095  1.0
  O  O27  1  0.422  0.132  0.405  1.0
  O  O28  1  0.221  0.382  0.041  1.0
  O  O29  1  0.618  0.779  0.459  1.0
  O  O30  1  0.779  0.618  0.959  1.0
  O  O31  1  0.382  0.221  0.541  1.0
  O  O32  1  0.084  0.173  0.220  1.0
  O  O33  1  0.827  0.916  0.280  1.0
  O  O34  1  0.916  0.827  0.780  1.0
  O  O35  1  0.173  0.084  0.720  1.0
  O  O36  1  0.988  0.049  0.630  1.0
  O  O37  1  0.951  0.012  0.870  1.0
  O  O38  1  0.012  0.951  0.370  1.0
  O  O39  1  0.049  0.988  0.130  1.0
  O  O40  1  0.277  0.546  0.577  1.0
  O  O41  1  0.454  0.723  0.923  1.0
  O  O42  1  0.723  0.454  0.423  1.0
  O  O43  1  0.546  0.277  0.077  1.0
  O  O44  1  0.347  0.544  0.887  1.0
  O  O45  1  0.456  0.653  0.613  1.0
  O  O46  1  0.653  0.456  0.113  1.0
  O  O47  1  0.544  0.347  0.387  1.0
  O  O48  1  0.985  0.229  0.914  1.0
  O  O49  1  0.771  0.015  0.586  1.0
  O  O50  1  0.015  0.771  0.086  1.0
  O  O51  1  0.229  0.985  0.414  1.0
[/CIF]
.