The structure described by Ca5Al6O14 crystallizes in the orthorhombic Cmc2_1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(9), two equivalent O(2), and two equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. In the third Ca site, Ca(3) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form corner-sharing AlO4 tetrahedra. In the second Al site, Al(2) is bonded to one O(3), one O(5), and two equivalent O(6) atoms to form corner-sharing AlO4 tetrahedra. In the third Al site, Al(3) is bonded to one O(1), one O(5), and two equivalent O(2) atoms to form corner-sharing AlO4 tetrahedra. In the fourth Al site, Al(4) is bonded to one O(4), one O(7), one O(8), and one O(9) atom to form corner-sharing AlO4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(5) is bonded to two equivalent Ca(3), one Al(2), and one Al(3) atom to form distorted OCa2Al2 tetrahedra that share  a cornercorner with one O(1)Ca3Al tetrahedra, corners with two equivalent O(4)Ca3Al tetrahedra, corners with two equivalent O(8)Ca2Al2 trigonal pyramids, and edges with two equivalent O(6)Ca2Al2 trigonal pyramids. In the second O site, O(6) is bonded to one Ca(2), one Ca(3), one Al(1), and one Al(2) atom to form distorted OCa2Al2 trigonal pyramids that share  a cornercorner with one O(1)Ca3Al tetrahedra, corners with two equivalent O(4)Ca3Al tetrahedra,  a cornercorner with one O(6)Ca2Al2 trigonal pyramid, corners with three equivalent O(8)Ca2Al2 trigonal pyramids, and  an edgeedge with one O(5)Ca2Al2 tetrahedra. In the third O site, O(8) is bonded to one Ca(2), one Ca(3), one Al(1), and one Al(4) atom to form distorted OCa2Al2 trigonal pyramids that share  a cornercorner with one O(5)Ca2Al2 tetrahedra,  a cornercorner with one O(1)Ca3Al tetrahedra,  a cornercorner with one O(4)Ca3Al tetrahedra, corners with three equivalent O(6)Ca2Al2 trigonal pyramids, and  an edgeedge with one O(4)Ca3Al tetrahedra. In the fourth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1) and two equivalent Al(4) atoms. In the fifth O site, O(1) is bonded to one Ca(1), two equivalent Ca(2), and one Al(3) atom to form distorted OCa3Al tetrahedra that share  a cornercorner with one O(5)Ca2Al2 tetrahedra, corners with two equivalent O(6)Ca2Al2 trigonal pyramids, corners with two equivalent O(8)Ca2Al2 trigonal pyramids, and edges with two equivalent O(4)Ca3Al tetrahedra. In the sixth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Al(1), and one Al(3) atom. In the seventh O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ca(2), two equivalent Ca(3), and one Al(2) atom. In the eighth O site, O(4) is bonded to one Ca(1), one Ca(2), one Ca(3), and one Al(4) atom to form distorted OCa3Al tetrahedra that share  a cornercorner with one O(5)Ca2Al2 tetrahedra,  a cornercorner with one O(4)Ca3Al tetrahedra,  a cornercorner with one O(8)Ca2Al2 trigonal pyramid, corners with two equivalent O(6)Ca2Al2 trigonal pyramids,  an edgeedge with one O(1)Ca3Al tetrahedra, and  an edgeedge with one O(8)Ca2Al2 trigonal pyramid. In the ninth O site, O(7) is bonded in a 2-coordinate geometry to one Ca(2), one Ca(3), one Al(1), and one Al(4) atom. is represented by the CIF card [CIF]
data_Ca5Al6O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.945
_cell_length_b   7.945
_cell_length_c   10.397
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.487
_symmetry_Int_Tables_number   1
_cell_volume   655.995
_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
  Ca  Ca0  1  0.475  0.475  0.742  1.0
  Ca  Ca1  1  0.525  0.525  0.242  1.0
  Ca  Ca2  1  0.675  0.959  0.199  1.0
  Ca  Ca3  1  0.325  0.041  0.699  1.0
  Ca  Ca4  1  0.041  0.325  0.699  1.0
  Ca  Ca5  1  0.959  0.675  0.199  1.0
  Ca  Ca6  1  0.264  0.947  0.250  1.0
  Ca  Ca7  1  0.736  0.053  0.750  1.0
  Ca  Ca8  1  0.053  0.736  0.750  1.0
  Ca  Ca9  1  0.947  0.264  0.250  1.0
  Al  Al10  1  0.647  0.157  0.476  1.0
  Al  Al11  1  0.353  0.843  0.976  1.0
  Al  Al12  1  0.843  0.353  0.976  1.0
  Al  Al13  1  0.157  0.647  0.476  1.0
  Al  Al14  1  0.001  0.001  0.963  1.0
  Al  Al15  1  0.999  0.999  0.463  1.0
  Al  Al16  1  0.701  0.701  0.941  1.0
  Al  Al17  1  0.299  0.299  0.441  1.0
  Al  Al18  1  0.502  0.789  0.508  1.0
  Al  Al19  1  0.498  0.211  0.008  1.0
  Al  Al20  1  0.211  0.498  0.008  1.0
  Al  Al21  1  0.789  0.502  0.508  1.0
  O  O22  1  0.700  0.700  0.110  1.0
  O  O23  1  0.300  0.300  0.610  1.0
  O  O24  1  0.495  0.243  0.373  1.0
  O  O25  1  0.505  0.757  0.873  1.0
  O  O26  1  0.757  0.505  0.873  1.0
  O  O27  1  0.243  0.495  0.373  1.0
  O  O28  1  0.993  0.993  0.131  1.0
  O  O29  1  0.007  0.007  0.631  1.0
  O  O30  1  0.489  0.809  0.340  1.0
  O  O31  1  0.511  0.191  0.840  1.0
  O  O32  1  0.191  0.511  0.840  1.0
  O  O33  1  0.809  0.489  0.340  1.0
  O  O34  1  0.854  0.854  0.888  1.0
  O  O35  1  0.146  0.146  0.388  1.0
  O  O36  1  0.809  0.063  0.384  1.0
  O  O37  1  0.191  0.937  0.884  1.0
  O  O38  1  0.937  0.191  0.884  1.0
  O  O39  1  0.063  0.809  0.384  1.0
  O  O40  1  0.299  0.752  0.584  1.0
  O  O41  1  0.701  0.248  0.084  1.0
  O  O42  1  0.248  0.701  0.084  1.0
  O  O43  1  0.752  0.299  0.584  1.0
  O  O44  1  0.991  0.563  0.576  1.0
  O  O45  1  0.009  0.437  0.076  1.0
  O  O46  1  0.437  0.009  0.076  1.0
  O  O47  1  0.563  0.991  0.576  1.0
  O  O48  1  0.626  0.626  0.567  1.0
  O  O49  1  0.374  0.374  0.067  1.0
[/CIF]
.
The structure described by Ca5Al6O14 crystallizes in the orthorhombic Cmc2_1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(9), two equivalent O(2), and two equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. In the third Ca site, Ca(3) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form corner-sharing AlO4 tetrahedra. In the second Al site, Al(2) is bonded to one O(3), one O(5), and two equivalent O(6) atoms to form corner-sharing AlO4 tetrahedra. In the third Al site, Al(3) is bonded to one O(1), one O(5), and two equivalent O(2) atoms to form corner-sharing AlO4 tetrahedra. In the fourth Al site, Al(4) is bonded to one O(4), one O(7), one O(8), and one O(9) atom to form corner-sharing AlO4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(5) is bonded to two equivalent Ca(3), one Al(2), and one Al(3) atom to form distorted OCa2Al2 tetrahedra that share  a cornercorner with one O(1)Ca3Al tetrahedra, corners with two equivalent O(4)Ca3Al tetrahedra, corners with two equivalent O(8)Ca2Al2 trigonal pyramids, and edges with two equivalent O(6)Ca2Al2 trigonal pyramids. In the second O site, O(6) is bonded to one Ca(2), one Ca(3), one Al(1), and one Al(2) atom to form distorted OCa2Al2 trigonal pyramids that share  a cornercorner with one O(1)Ca3Al tetrahedra, corners with two equivalent O(4)Ca3Al tetrahedra,  a cornercorner with one O(6)Ca2Al2 trigonal pyramid, corners with three equivalent O(8)Ca2Al2 trigonal pyramids, and  an edgeedge with one O(5)Ca2Al2 tetrahedra. In the third O site, O(8) is bonded to one Ca(2), one Ca(3), one Al(1), and one Al(4) atom to form distorted OCa2Al2 trigonal pyramids that share  a cornercorner with one O(5)Ca2Al2 tetrahedra,  a cornercorner with one O(1)Ca3Al tetrahedra,  a cornercorner with one O(4)Ca3Al tetrahedra, corners with three equivalent O(6)Ca2Al2 trigonal pyramids, and  an edgeedge with one O(4)Ca3Al tetrahedra. In the fourth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1) and two equivalent Al(4) atoms. In the fifth O site, O(1) is bonded to one Ca(1), two equivalent Ca(2), and one Al(3) atom to form distorted OCa3Al tetrahedra that share  a cornercorner with one O(5)Ca2Al2 tetrahedra, corners with two equivalent O(6)Ca2Al2 trigonal pyramids, corners with two equivalent O(8)Ca2Al2 trigonal pyramids, and edges with two equivalent O(4)Ca3Al tetrahedra. In the sixth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Al(1), and one Al(3) atom. In the seventh O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ca(2), two equivalent Ca(3), and one Al(2) atom. In the eighth O site, O(4) is bonded to one Ca(1), one Ca(2), one Ca(3), and one Al(4) atom to form distorted OCa3Al tetrahedra that share  a cornercorner with one O(5)Ca2Al2 tetrahedra,  a cornercorner with one O(4)Ca3Al tetrahedra,  a cornercorner with one O(8)Ca2Al2 trigonal pyramid, corners with two equivalent O(6)Ca2Al2 trigonal pyramids,  an edgeedge with one O(1)Ca3Al tetrahedra, and  an edgeedge with one O(8)Ca2Al2 trigonal pyramid. In the ninth O site, O(7) is bonded in a 2-coordinate geometry to one Ca(2), one Ca(3), one Al(1), and one Al(4) atom. is represented by the CIF card [CIF]
data_Ca5Al6O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.945
_cell_length_b   7.945
_cell_length_c   10.397
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.487
_symmetry_Int_Tables_number   1
_cell_volume   655.995
_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
  Ca  Ca0  1  0.475  0.475  0.742  1.0
  Ca  Ca1  1  0.525  0.525  0.242  1.0
  Ca  Ca2  1  0.675  0.959  0.199  1.0
  Ca  Ca3  1  0.325  0.041  0.699  1.0
  Ca  Ca4  1  0.041  0.325  0.699  1.0
  Ca  Ca5  1  0.959  0.675  0.199  1.0
  Ca  Ca6  1  0.264  0.947  0.250  1.0
  Ca  Ca7  1  0.736  0.053  0.750  1.0
  Ca  Ca8  1  0.053  0.736  0.750  1.0
  Ca  Ca9  1  0.947  0.264  0.250  1.0
  Al  Al10  1  0.647  0.157  0.476  1.0
  Al  Al11  1  0.353  0.843  0.976  1.0
  Al  Al12  1  0.843  0.353  0.976  1.0
  Al  Al13  1  0.157  0.647  0.476  1.0
  Al  Al14  1  0.001  0.001  0.963  1.0
  Al  Al15  1  0.999  0.999  0.463  1.0
  Al  Al16  1  0.701  0.701  0.941  1.0
  Al  Al17  1  0.299  0.299  0.441  1.0
  Al  Al18  1  0.502  0.789  0.508  1.0
  Al  Al19  1  0.498  0.211  0.008  1.0
  Al  Al20  1  0.211  0.498  0.008  1.0
  Al  Al21  1  0.789  0.502  0.508  1.0
  O  O22  1  0.700  0.700  0.110  1.0
  O  O23  1  0.300  0.300  0.610  1.0
  O  O24  1  0.495  0.243  0.373  1.0
  O  O25  1  0.505  0.757  0.873  1.0
  O  O26  1  0.757  0.505  0.873  1.0
  O  O27  1  0.243  0.495  0.373  1.0
  O  O28  1  0.993  0.993  0.131  1.0
  O  O29  1  0.007  0.007  0.631  1.0
  O  O30  1  0.489  0.809  0.340  1.0
  O  O31  1  0.511  0.191  0.840  1.0
  O  O32  1  0.191  0.511  0.840  1.0
  O  O33  1  0.809  0.489  0.340  1.0
  O  O34  1  0.854  0.854  0.888  1.0
  O  O35  1  0.146  0.146  0.388  1.0
  O  O36  1  0.809  0.063  0.384  1.0
  O  O37  1  0.191  0.937  0.884  1.0
  O  O38  1  0.937  0.191  0.884  1.0
  O  O39  1  0.063  0.809  0.384  1.0
  O  O40  1  0.299  0.752  0.584  1.0
  O  O41  1  0.701  0.248  0.084  1.0
  O  O42  1  0.248  0.701  0.084  1.0
  O  O43  1  0.752  0.299  0.584  1.0
  O  O44  1  0.991  0.563  0.576  1.0
  O  O45  1  0.009  0.437  0.076  1.0
  O  O46  1  0.437  0.009  0.076  1.0
  O  O47  1  0.563  0.991  0.576  1.0
  O  O48  1  0.626  0.626  0.567  1.0
  O  O49  1  0.374  0.374  0.067  1.0
[/CIF]
.