The crystal structure described by CaGd4O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(9) atom to form CaO5 trigonal bipyramids that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one Gd(4)O6 octahedra,  a cornercorner with one Gd(8)O6 octahedra, corners with two equivalent Gd(5)O5 trigonal bipyramids, and  an edgeedge with one Gd(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 65-68°. In the second Ca site, Ca(2) is bonded to one O(10), one O(12), one O(13), one O(9), and two equivalent O(11) atoms to form CaO6 octahedra that share corners with two equivalent Gd(4)O6 octahedra,  a cornercorner with one Ca(1)O5 trigonal bipyramid,  a cornercorner with one Gd(5)O5 trigonal bipyramid,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Gd(4)O6 octahedra, edges with two equivalent Gd(3)O6 octahedra, and edges with three equivalent Gd(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. There are eight inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(7), one O(8), and two equivalent O(5) atoms. In the second Gd site, Gd(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(7), one O(8), and two equivalent O(6) atoms. In the third Gd site, Gd(3) is bonded to one O(10), one O(11), one O(12), one O(5), one O(6), and one O(7) atom to form distorted GdO6 octahedra that share corners with two equivalent Gd(8)O6 octahedra,  a cornercorner with one Gd(5)O5 trigonal bipyramid,  an edgeedge with one Gd(8)O6 octahedra, edges with two equivalent Ca(2)O6 octahedra, and edges with two equivalent Gd(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the fourth Gd site, Gd(4) is bonded to one O(11), one O(12), one O(5), one O(6), one O(8), and one O(9) atom to form distorted GdO6 octahedra that share corners with two equivalent Ca(2)O6 octahedra,  a cornercorner with one Ca(1)O5 trigonal bipyramid,  an edgeedge with one Ca(2)O6 octahedra, edges with two equivalent Gd(3)O6 octahedra, and edges with two equivalent Gd(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the fifth Gd site, Gd(5) is bonded to one O(1), one O(10), one O(2), one O(3), and one O(4) atom to form GdO5 trigonal bipyramids that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one Gd(3)O6 octahedra,  a cornercorner with one Gd(8)O6 octahedra, corners with two equivalent Ca(1)O5 trigonal bipyramids, and  an edgeedge with one Ca(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 64-67°. In the sixth Gd site, Gd(6) is bonded in a 7-coordinate geometry to one O(11), one O(14), one O(3), one O(7), one O(8), and two equivalent O(13) atoms. In the seventh Gd site, Gd(7) is bonded in a 7-coordinate geometry to one O(12), one O(13), one O(4), one O(7), one O(8), and two equivalent O(14) atoms. In the eighth Gd site, Gd(8) is bonded to one O(10), one O(11), one O(14), one O(9), and two equivalent O(12) atoms to form GdO6 octahedra that share corners with two equivalent Gd(3)O6 octahedra,  a cornercorner with one Ca(1)O5 trigonal bipyramid,  a cornercorner with one Gd(5)O5 trigonal bipyramid,  an edgeedge with one Gd(3)O6 octahedra,  an edgeedge with one Gd(8)O6 octahedra, edges with two equivalent Gd(4)O6 octahedra, and edges with three equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Gd(1), one Gd(2), and one Gd(5) atom to form OCaGd3 trigonal pyramids that share corners with two equivalent O(8)Gd5 square pyramids,  a cornercorner with one O(9)Ca2Gd2 tetrahedra,  a cornercorner with one O(10)CaGd3 tetrahedra, corners with two equivalent O(5)Gd4 tetrahedra, corners with two equivalent O(6)Gd4 tetrahedra,  a cornercorner with one O(3)CaGd3 trigonal pyramid,  a cornercorner with one O(4)CaGd3 trigonal pyramid, corners with two equivalent O(2)CaGd3 trigonal pyramids,  an edgeedge with one O(7)Gd5 square pyramid,  an edgeedge with one O(2)CaGd3 trigonal pyramid,  an edgeedge with one O(3)CaGd3 trigonal pyramid, and  an edgeedge with one O(4)CaGd3 trigonal pyramid. In the second O site, O(2) is bonded to one Ca(1), one Gd(1), one Gd(2), and one Gd(5) atom to form OCaGd3 trigonal pyramids that share corners with two equivalent O(7)Gd5 square pyramids,  a cornercorner with one O(9)Ca2Gd2 tetrahedra,  a cornercorner with one O(10)CaGd3 tetrahedra, corners with two equivalent O(5)Gd4 tetrahedra, corners with two equivalent O(6)Gd4 tetrahedra,  a cornercorner with one O(3)CaGd3 trigonal pyramid,  a cornercorner with one O(4)CaGd3 trigonal pyramid, corners with two equivalent O(1)CaGd3 trigonal pyramids,  an edgeedge with one O(8)Gd5 square pyramid,  an edgeedge with one O(1)CaGd3 trigonal pyramid,  an edgeedge with one O(3)CaGd3 trigonal pyramid, and  an edgeedge with one O(4)CaGd3 trigonal pyramid. In the third O site, O(3) is bonded to one Ca(1), one Gd(1), one Gd(5), and one Gd(6) atom to form OCaGd3 trigonal pyramids that share  a cornercorner with one O(11)Ca2Gd4 octahedra,  a cornercorner with one O(9)Ca2Gd2 tetrahedra,  a cornercorner with one O(10)CaGd3 tetrahedra,  a cornercorner with one O(14)Gd4 tetrahedra, corners with two equivalent O(13)CaGd3 tetrahedra, corners with two equivalent O(5)Gd4 tetrahedra,  a cornercorner with one O(1)CaGd3 trigonal pyramid,  a cornercorner with one O(2)CaGd3 trigonal pyramid, corners with two equivalent O(4)CaGd3 trigonal pyramids,  an edgeedge with one O(7)Gd5 square pyramid,  an edgeedge with one O(8)Gd5 square pyramid,  an edgeedge with one O(1)CaGd3 trigonal pyramid, and  an edgeedge with one O(2)CaGd3 trigonal pyramid. The corner-sharing octahedral tilt angles are 43°. In the fourth O site, O(4) is bonded to one Ca(1), one Gd(2), one Gd(5), and one Gd(7) atom to form distorted OCaGd3 trigonal pyramids that share  a cornercorner with one O(12)CaGd5 octahedra,  a cornercorner with one O(9)Ca2Gd2 tetrahedra,  a cornercorner with one O(10)CaGd3 tetrahedra,  a cornercorner with one O(13)CaGd3 tetrahedra, corners with two equivalent O(14)Gd4 tetrahedra, corners with two equivalent O(6)Gd4 tetrahedra,  a cornercorner with one O(1)CaGd3 trigonal pyramid,  a cornercorner with one O(2)CaGd3 trigonal pyramid, corners with two equivalent O(3)CaGd3 trigonal pyramids,  an edgeedge with one O(7)Gd5 square pyramid,  an edgeedge with one O(8)Gd5 square pyramid,  an edgeedge with one O(1)CaGd3 trigonal pyramid, and  an edgeedge with one O(2)CaGd3 trigonal pyramid. The corner-sharing octahedral tilt angles are 41°. In the fifth O site, O(5) is bonded to one Gd(3), one Gd(4), and two equivalent Gd(1) atoms to form OGd4 tetrahedra that share corners with two equivalent O(12)CaGd5 octahedra,  a cornercorner with one O(7)Gd5 square pyramid,  a cornercorner with one O(8)Gd5 square pyramid,  a cornercorner with one O(9)Ca2Gd2 tetrahedra,  a cornercorner with one O(10)CaGd3 tetrahedra, corners with two equivalent O(6)Gd4 tetrahedra, corners with two equivalent O(1)CaGd3 trigonal pyramids, corners with two equivalent O(2)CaGd3 trigonal pyramids, corners with two equivalent O(3)CaGd3 trigonal pyramids,  an edgeedge with one O(11)Ca2Gd4 octahedra,  an edgeedge with one O(7)Gd5 square pyramid,  an edgeedge with one O(8)Gd5 square pyramid, and  an edgeedge with one O(5)Gd4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the sixth O site, O(6) is bonded to one Gd(3), one Gd(4), and two equivalent Gd(2) atoms to form OGd4 tetrahedra that share corners with two equivalent O(11)Ca2Gd4 octahedra,  a cornercorner with one O(7)Gd5 square pyramid,  a cornercorner with one O(8)Gd5 square pyramid,  a cornercorner with one O(9)Ca2Gd2 tetrahedra,  a cornercorner with one O(10)CaGd3 tetrahedra, corners with two equivalent O(5)Gd4 tetrahedra, corners with two equivalent O(1)CaGd3 trigonal pyramids, corners with two equivalent O(2)CaGd3 trigonal pyramids, corners with two equivalent O(4)CaGd3 trigonal pyramids,  an edgeedge with one O(12)CaGd5 octahedra,  an edgeedge with one O(7)Gd5 square pyramid,  an edgeedge with one O(8)Gd5 square pyramid, and  an edgeedge with one O(6)Gd4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-15°. In the seventh O site, O(7) is bonded to one Gd(1), one Gd(2), one Gd(3), one Gd(6), and one Gd(7) atom to form distorted OGd5 square pyramids that share  a cornercorner with one O(10)CaGd3 tetrahedra,  a cornercorner with one O(13)CaGd3 tetrahedra,  a cornercorner with one O(5)Gd4 tetrahedra,  a cornercorner with one O(6)Gd4 tetrahedra, corners with three equivalent O(14)Gd4 tetrahedra, corners with two equivalent O(2)CaGd3 trigonal pyramids,  an edgeedge with one O(11)Ca2Gd4 octahedra,  an edgeedge with one O(12)CaGd5 octahedra, edges with two equivalent O(8)Gd5 square pyramids,  an edgeedge with one O(13)CaGd3 tetrahedra,  an edgeedge with one O(5)Gd4 tetrahedra,  an edgeedge with one O(6)Gd4 tetrahedra,  an edgeedge with one O(1)CaGd3 trigonal pyramid,  an edgeedge with one O(3)CaGd3 trigonal pyramid, and  an edgeedge with one O(4)CaGd3 trigonal pyramid. In the eighth O site, O(8) is bonded to one Gd(1), one Gd(2), one Gd(4), one Gd(6), and one Gd(7) atom to form distorted OGd5 square pyramids that share  a cornercorner with one O(9)Ca2Gd2 tetrahedra,  a cornercorner with one O(14)Gd4 tetrahedra,  a cornercorner with one O(5)Gd4 tetrahedra,  a cornercorner with one O(6)Gd4 tetrahedra, corners with three equivalent O(13)CaGd3 tetrahedra, corners with two equivalent O(1)CaGd3 trigonal pyramids,  an edgeedge with one O(11)Ca2Gd4 octahedra,  an edgeedge with one O(12)CaGd5 octahedra, edges with two equivalent O(7)Gd5 square pyramids,  an edgeedge with one O(14)Gd4 tetrahedra,  an edgeedge with one O(5)Gd4 tetrahedra,  an edgeedge with one O(6)Gd4 tetrahedra,  an edgeedge with one O(2)CaGd3 trigonal pyramid,  an edgeedge with one O(3)CaGd3 trigonal pyramid, and  an edgeedge with one O(4)CaGd3 trigonal pyramid. In the ninth O site, O(9) is bonded to one Ca(1), one Ca(2), one Gd(4), and one Gd(8) atom to form OCa2Gd2 tetrahedra that share corners with two equivalent O(11)Ca2Gd4 octahedra,  a cornercorner with one O(8)Gd5 square pyramid,  a cornercorner with one O(13)CaGd3 tetrahedra,  a cornercorner with one O(14)Gd4 tetrahedra,  a cornercorner with one O(5)Gd4 tetrahedra,  a cornercorner with one O(6)Gd4 tetrahedra, corners with two equivalent O(10)CaGd3 tetrahedra,  a cornercorner with one O(1)CaGd3 trigonal pyramid,  a cornercorner with one O(2)CaGd3 trigonal pyramid,  a cornercorner with one O(3)CaGd3 trigonal pyramid,  a cornercorner with one O(4)CaGd3 trigonal pyramid,  an edgeedge with one O(11)Ca2Gd4 octahedra, and edges with two equivalent O(12)CaGd5 octahedra. The corner-sharing octahedral tilt angles are 12°. In the tenth O site, O(10) is bonded to one Ca(2), one Gd(3), one Gd(5), and one Gd(8) atom to form OCaGd3 tetrahedra that share corners with two equivalent O(12)CaGd5 octahedra,  a cornercorner with one O(7)Gd5 square pyramid,  a cornercorner with one O(13)CaGd3 tetrahedra,  a cornercorner with one O(14)Gd4 tetrahedra,  a cornercorner with one O(5)Gd4 tetrahedra,  a cornercorner with one O(6)Gd4 tetrahedra, corners with two equivalent O(9)Ca2Gd2 tetrahedra,  a cornercorner with one O(1)CaGd3 trigonal pyramid,  a cornercorner with one O(2)CaGd3 trigonal pyramid,  a cornercorner with one O(3)CaGd3 trigonal pyramid,  a cornercorner with one O(4)CaGd3 trigonal pyramid,  an edgeedge with one O(12)CaGd5 octahedra, and edges with two equivalent O(11)Ca2Gd4 octahedra. The corner-sharing octahedral tilt angles are 12°. In the eleventh O site, O(11) is bonded to two equivalent Ca(2), one Gd(3), one Gd(4), one Gd(6), and one Gd(8) atom to form OCa2Gd4 octahedra that share corners with two equivalent O(9)Ca2Gd2 tetrahedra, corners with two equivalent O(13)CaGd3 tetrahedra, corners with two equivalent O(6)Gd4 tetrahedra,  a cornercorner with one O(3)CaGd3 trigonal pyramid,  an edgeedge with one O(11)Ca2Gd4 octahedra, edges with three equivalent O(12)CaGd5 octahedra,  an edgeedge with one O(7)Gd5 square pyramid,  an edgeedge with one O(8)Gd5 square pyramid,  an edgeedge with one O(9)Ca2Gd2 tetrahedra,  an edgeedge with one O(13)CaGd3 tetrahedra,  an edgeedge with one O(14)Gd4 tetrahedra,  an edgeedge with one O(5)Gd4 tetrahedra, and edges with two equivalent O(10)CaGd3 tetrahedra. In the twelfth O site, O(12) is bonded to one Ca(2), one Gd(3), one Gd(4), one Gd(7), and two equivalent Gd(8) atoms to form OCaGd5 octahedra that share corners with two equivalent O(10)CaGd3 tetrahedra, corners with two equivalent O(14)Gd4 tetrahedra, corners with two equivalent O(5)Gd4 tetrahedra,  a cornercorner with one O(4)CaGd3 trigonal pyramid,  an edgeedge with one O(12)CaGd5 octahedra, edges with three equivalent O(11)Ca2Gd4 octahedra,  an edgeedge with one O(7)Gd5 square pyramid,  an edgeedge with one O(8)Gd5 square pyramid,  an edgeedge with one O(10)CaGd3 tetrahedra,  an edgeedge with one O(13)CaGd3 tetrahedra,  an edgeedge with one O(14)Gd4 tetrahedra,  an edgeedge with one O(6)Gd4 tetrahedra, and edges with two equivalent O(9)Ca2Gd2 tetrahedra. In the thirteenth O site, O(13) is bonded to one Ca(2), one Gd(7), and two equivalent Gd(6) atoms to form OCaGd3 tetrahedra that share corners with two equivalent O(11)Ca2Gd4 octahedra,  a cornercorner with one O(7)Gd5 square pyramid, corners with three equivalent O(8)Gd5 square pyramids,  a cornercorner with one O(9)Ca2Gd2 tetrahedra,  a cornercorner with one O(10)CaGd3 tetrahedra, corners with two equivalent O(14)Gd4 tetrahedra,  a cornercorner with one O(4)CaGd3 trigonal pyramid, corners with two equivalent O(3)CaGd3 trigonal pyramids,  an edgeedge with one O(11)Ca2Gd4 octahedra,  an edgeedge with one O(12)CaGd5 octahedra,  an edgeedge with one O(7)Gd5 square pyramid,  an edgeedge with one O(13)CaGd3 tetrahedra, and  an edgeedge with one O(14)Gd4 tetrahedra. The corner-sharing octahedral tilt angles range from 10-43°. In the fourteenth O site, O(14) is bonded to one Gd(6), one Gd(8), and two equivalent Gd(7) atoms to form OGd4 tetrahedra that share corners with two equivalent O(12)CaGd5 octahedra,  a cornercorner with one O(8)Gd5 square pyramid, corners with three equivalent O(7)Gd5 square pyramids,  a cornercorner with one O(9)Ca2Gd2 tetrahedra,  a cornercorner with one O(10)CaGd3 tetrahedra, corners with two equivalent O(13)CaGd3 tetrahedra,  a cornercorner with one O(3)CaGd3 trigonal pyramid, corners with two equivalent O(4)CaGd3 trigonal pyramids,  an edgeedge with one O(11)Ca2Gd4 octahedra,  an edgeedge with one O(12)CaGd5 octahedra,  an edgeedge with one O(8)Gd5 square pyramid,  an edgeedge with one O(13)CaGd3 tetrahedra, and  an edgeedge with one O(14)Gd4 tetrahedra. The corner-sharing octahedral tilt angles range from 9-43°. is represented by the CIF card [CIF]
data_CaGd4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.216
_cell_length_b   9.208
_cell_length_c   11.637
_cell_angle_alpha   107.495
_cell_angle_beta   99.014
_cell_angle_gamma   89.948
_symmetry_Int_Tables_number   1
_cell_volume   727.465
_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  0.290  0.070  0.160  1.0
  Ca  Ca1  1  0.110  0.324  0.436  1.0
  Ca  Ca2  1  0.890  0.676  0.564  1.0
  Ca  Ca3  1  0.710  0.930  0.840  1.0
  Gd  Gd4  1  0.019  0.717  0.071  1.0
  Gd  Gd5  1  0.516  0.716  0.070  1.0
  Gd  Gd6  1  0.812  0.499  0.241  1.0
  Gd  Gd7  1  0.309  0.496  0.239  1.0
  Gd  Gd8  1  0.789  0.066  0.155  1.0
  Gd  Gd9  1  0.093  0.870  0.375  1.0
  Gd  Gd10  1  0.594  0.869  0.373  1.0
  Gd  Gd11  1  0.609  0.326  0.437  1.0
  Gd  Gd12  1  0.391  0.674  0.563  1.0
  Gd  Gd13  1  0.406  0.131  0.627  1.0
  Gd  Gd14  1  0.907  0.130  0.625  1.0
  Gd  Gd15  1  0.211  0.934  0.845  1.0
  Gd  Gd16  1  0.188  0.501  0.759  1.0
  Gd  Gd17  1  0.691  0.504  0.761  1.0
  Gd  Gd18  1  0.981  0.283  0.929  1.0
  Gd  Gd19  1  0.484  0.284  0.930  1.0
  O  O20  1  0.251  0.177  0.001  1.0
  O  O21  1  0.752  0.181  0.006  1.0
  O  O22  1  0.050  0.975  0.217  1.0
  O  O23  1  0.559  0.978  0.218  1.0
  O  O24  1  0.027  0.475  0.114  1.0
  O  O25  1  0.531  0.475  0.115  1.0
  O  O26  1  0.806  0.738  0.230  1.0
  O  O27  1  0.309  0.738  0.227  1.0
  O  O28  1  0.335  0.294  0.312  1.0
  O  O29  1  0.822  0.291  0.309  1.0
  O  O30  1  0.108  0.587  0.399  1.0
  O  O31  1  0.593  0.580  0.402  1.0
  O  O32  1  0.873  0.884  0.498  1.0
  O  O33  1  0.377  0.881  0.501  1.0
  O  O34  1  0.623  0.119  0.499  1.0
  O  O35  1  0.127  0.116  0.502  1.0
  O  O36  1  0.892  0.413  0.601  1.0
  O  O37  1  0.407  0.420  0.598  1.0
  O  O38  1  0.178  0.709  0.691  1.0
  O  O39  1  0.665  0.706  0.688  1.0
  O  O40  1  0.691  0.262  0.773  1.0
  O  O41  1  0.194  0.262  0.770  1.0
  O  O42  1  0.973  0.525  0.886  1.0
  O  O43  1  0.469  0.525  0.885  1.0
  O  O44  1  0.950  0.025  0.783  1.0
  O  O45  1  0.441  0.022  0.782  1.0
  O  O46  1  0.749  0.823  0.999  1.0
  O  O47  1  0.248  0.819  0.994  1.0
[/CIF]
.
The crystal structure described by CaGd4O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(9) atom to form CaO5 trigonal bipyramids that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one Gd(4)O6 octahedra,  a cornercorner with one Gd(8)O6 octahedra, corners with two equivalent Gd(5)O5 trigonal bipyramids, and  an edgeedge with one Gd(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 65-68°. In the second Ca site, Ca(2) is bonded to one O(10), one O(12), one O(13), one O(9), and two equivalent O(11) atoms to form CaO6 octahedra that share corners with two equivalent Gd(4)O6 octahedra,  a cornercorner with one Ca(1)O5 trigonal bipyramid,  a cornercorner with one Gd(5)O5 trigonal bipyramid,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Gd(4)O6 octahedra, edges with two equivalent Gd(3)O6 octahedra, and edges with three equivalent Gd(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. There are eight inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(7), one O(8), and two equivalent O(5) atoms. In the second Gd site, Gd(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(7), one O(8), and two equivalent O(6) atoms. In the third Gd site, Gd(3) is bonded to one O(10), one O(11), one O(12), one O(5), one O(6), and one O(7) atom to form distorted GdO6 octahedra that share corners with two equivalent Gd(8)O6 octahedra,  a cornercorner with one Gd(5)O5 trigonal bipyramid,  an edgeedge with one Gd(8)O6 octahedra, edges with two equivalent Ca(2)O6 octahedra, and edges with two equivalent Gd(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the fourth Gd site, Gd(4) is bonded to one O(11), one O(12), one O(5), one O(6), one O(8), and one O(9) atom to form distorted GdO6 octahedra that share corners with two equivalent Ca(2)O6 octahedra,  a cornercorner with one Ca(1)O5 trigonal bipyramid,  an edgeedge with one Ca(2)O6 octahedra, edges with two equivalent Gd(3)O6 octahedra, and edges with two equivalent Gd(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the fifth Gd site, Gd(5) is bonded to one O(1), one O(10), one O(2), one O(3), and one O(4) atom to form GdO5 trigonal bipyramids that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one Gd(3)O6 octahedra,  a cornercorner with one Gd(8)O6 octahedra, corners with two equivalent Ca(1)O5 trigonal bipyramids, and  an edgeedge with one Ca(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 64-67°. In the sixth Gd site, Gd(6) is bonded in a 7-coordinate geometry to one O(11), one O(14), one O(3), one O(7), one O(8), and two equivalent O(13) atoms. In the seventh Gd site, Gd(7) is bonded in a 7-coordinate geometry to one O(12), one O(13), one O(4), one O(7), one O(8), and two equivalent O(14) atoms. In the eighth Gd site, Gd(8) is bonded to one O(10), one O(11), one O(14), one O(9), and two equivalent O(12) atoms to form GdO6 octahedra that share corners with two equivalent Gd(3)O6 octahedra,  a cornercorner with one Ca(1)O5 trigonal bipyramid,  a cornercorner with one Gd(5)O5 trigonal bipyramid,  an edgeedge with one Gd(3)O6 octahedra,  an edgeedge with one Gd(8)O6 octahedra, edges with two equivalent Gd(4)O6 octahedra, and edges with three equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Gd(1), one Gd(2), and one Gd(5) atom to form OCaGd3 trigonal pyramids that share corners with two equivalent O(8)Gd5 square pyramids,  a cornercorner with one O(9)Ca2Gd2 tetrahedra,  a cornercorner with one O(10)CaGd3 tetrahedra, corners with two equivalent O(5)Gd4 tetrahedra, corners with two equivalent O(6)Gd4 tetrahedra,  a cornercorner with one O(3)CaGd3 trigonal pyramid,  a cornercorner with one O(4)CaGd3 trigonal pyramid, corners with two equivalent O(2)CaGd3 trigonal pyramids,  an edgeedge with one O(7)Gd5 square pyramid,  an edgeedge with one O(2)CaGd3 trigonal pyramid,  an edgeedge with one O(3)CaGd3 trigonal pyramid, and  an edgeedge with one O(4)CaGd3 trigonal pyramid. In the second O site, O(2) is bonded to one Ca(1), one Gd(1), one Gd(2), and one Gd(5) atom to form OCaGd3 trigonal pyramids that share corners with two equivalent O(7)Gd5 square pyramids,  a cornercorner with one O(9)Ca2Gd2 tetrahedra,  a cornercorner with one O(10)CaGd3 tetrahedra, corners with two equivalent O(5)Gd4 tetrahedra, corners with two equivalent O(6)Gd4 tetrahedra,  a cornercorner with one O(3)CaGd3 trigonal pyramid,  a cornercorner with one O(4)CaGd3 trigonal pyramid, corners with two equivalent O(1)CaGd3 trigonal pyramids,  an edgeedge with one O(8)Gd5 square pyramid,  an edgeedge with one O(1)CaGd3 trigonal pyramid,  an edgeedge with one O(3)CaGd3 trigonal pyramid, and  an edgeedge with one O(4)CaGd3 trigonal pyramid. In the third O site, O(3) is bonded to one Ca(1), one Gd(1), one Gd(5), and one Gd(6) atom to form OCaGd3 trigonal pyramids that share  a cornercorner with one O(11)Ca2Gd4 octahedra,  a cornercorner with one O(9)Ca2Gd2 tetrahedra,  a cornercorner with one O(10)CaGd3 tetrahedra,  a cornercorner with one O(14)Gd4 tetrahedra, corners with two equivalent O(13)CaGd3 tetrahedra, corners with two equivalent O(5)Gd4 tetrahedra,  a cornercorner with one O(1)CaGd3 trigonal pyramid,  a cornercorner with one O(2)CaGd3 trigonal pyramid, corners with two equivalent O(4)CaGd3 trigonal pyramids,  an edgeedge with one O(7)Gd5 square pyramid,  an edgeedge with one O(8)Gd5 square pyramid,  an edgeedge with one O(1)CaGd3 trigonal pyramid, and  an edgeedge with one O(2)CaGd3 trigonal pyramid. The corner-sharing octahedral tilt angles are 43°. In the fourth O site, O(4) is bonded to one Ca(1), one Gd(2), one Gd(5), and one Gd(7) atom to form distorted OCaGd3 trigonal pyramids that share  a cornercorner with one O(12)CaGd5 octahedra,  a cornercorner with one O(9)Ca2Gd2 tetrahedra,  a cornercorner with one O(10)CaGd3 tetrahedra,  a cornercorner with one O(13)CaGd3 tetrahedra, corners with two equivalent O(14)Gd4 tetrahedra, corners with two equivalent O(6)Gd4 tetrahedra,  a cornercorner with one O(1)CaGd3 trigonal pyramid,  a cornercorner with one O(2)CaGd3 trigonal pyramid, corners with two equivalent O(3)CaGd3 trigonal pyramids,  an edgeedge with one O(7)Gd5 square pyramid,  an edgeedge with one O(8)Gd5 square pyramid,  an edgeedge with one O(1)CaGd3 trigonal pyramid, and  an edgeedge with one O(2)CaGd3 trigonal pyramid. The corner-sharing octahedral tilt angles are 41°. In the fifth O site, O(5) is bonded to one Gd(3), one Gd(4), and two equivalent Gd(1) atoms to form OGd4 tetrahedra that share corners with two equivalent O(12)CaGd5 octahedra,  a cornercorner with one O(7)Gd5 square pyramid,  a cornercorner with one O(8)Gd5 square pyramid,  a cornercorner with one O(9)Ca2Gd2 tetrahedra,  a cornercorner with one O(10)CaGd3 tetrahedra, corners with two equivalent O(6)Gd4 tetrahedra, corners with two equivalent O(1)CaGd3 trigonal pyramids, corners with two equivalent O(2)CaGd3 trigonal pyramids, corners with two equivalent O(3)CaGd3 trigonal pyramids,  an edgeedge with one O(11)Ca2Gd4 octahedra,  an edgeedge with one O(7)Gd5 square pyramid,  an edgeedge with one O(8)Gd5 square pyramid, and  an edgeedge with one O(5)Gd4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the sixth O site, O(6) is bonded to one Gd(3), one Gd(4), and two equivalent Gd(2) atoms to form OGd4 tetrahedra that share corners with two equivalent O(11)Ca2Gd4 octahedra,  a cornercorner with one O(7)Gd5 square pyramid,  a cornercorner with one O(8)Gd5 square pyramid,  a cornercorner with one O(9)Ca2Gd2 tetrahedra,  a cornercorner with one O(10)CaGd3 tetrahedra, corners with two equivalent O(5)Gd4 tetrahedra, corners with two equivalent O(1)CaGd3 trigonal pyramids, corners with two equivalent O(2)CaGd3 trigonal pyramids, corners with two equivalent O(4)CaGd3 trigonal pyramids,  an edgeedge with one O(12)CaGd5 octahedra,  an edgeedge with one O(7)Gd5 square pyramid,  an edgeedge with one O(8)Gd5 square pyramid, and  an edgeedge with one O(6)Gd4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-15°. In the seventh O site, O(7) is bonded to one Gd(1), one Gd(2), one Gd(3), one Gd(6), and one Gd(7) atom to form distorted OGd5 square pyramids that share  a cornercorner with one O(10)CaGd3 tetrahedra,  a cornercorner with one O(13)CaGd3 tetrahedra,  a cornercorner with one O(5)Gd4 tetrahedra,  a cornercorner with one O(6)Gd4 tetrahedra, corners with three equivalent O(14)Gd4 tetrahedra, corners with two equivalent O(2)CaGd3 trigonal pyramids,  an edgeedge with one O(11)Ca2Gd4 octahedra,  an edgeedge with one O(12)CaGd5 octahedra, edges with two equivalent O(8)Gd5 square pyramids,  an edgeedge with one O(13)CaGd3 tetrahedra,  an edgeedge with one O(5)Gd4 tetrahedra,  an edgeedge with one O(6)Gd4 tetrahedra,  an edgeedge with one O(1)CaGd3 trigonal pyramid,  an edgeedge with one O(3)CaGd3 trigonal pyramid, and  an edgeedge with one O(4)CaGd3 trigonal pyramid. In the eighth O site, O(8) is bonded to one Gd(1), one Gd(2), one Gd(4), one Gd(6), and one Gd(7) atom to form distorted OGd5 square pyramids that share  a cornercorner with one O(9)Ca2Gd2 tetrahedra,  a cornercorner with one O(14)Gd4 tetrahedra,  a cornercorner with one O(5)Gd4 tetrahedra,  a cornercorner with one O(6)Gd4 tetrahedra, corners with three equivalent O(13)CaGd3 tetrahedra, corners with two equivalent O(1)CaGd3 trigonal pyramids,  an edgeedge with one O(11)Ca2Gd4 octahedra,  an edgeedge with one O(12)CaGd5 octahedra, edges with two equivalent O(7)Gd5 square pyramids,  an edgeedge with one O(14)Gd4 tetrahedra,  an edgeedge with one O(5)Gd4 tetrahedra,  an edgeedge with one O(6)Gd4 tetrahedra,  an edgeedge with one O(2)CaGd3 trigonal pyramid,  an edgeedge with one O(3)CaGd3 trigonal pyramid, and  an edgeedge with one O(4)CaGd3 trigonal pyramid. In the ninth O site, O(9) is bonded to one Ca(1), one Ca(2), one Gd(4), and one Gd(8) atom to form OCa2Gd2 tetrahedra that share corners with two equivalent O(11)Ca2Gd4 octahedra,  a cornercorner with one O(8)Gd5 square pyramid,  a cornercorner with one O(13)CaGd3 tetrahedra,  a cornercorner with one O(14)Gd4 tetrahedra,  a cornercorner with one O(5)Gd4 tetrahedra,  a cornercorner with one O(6)Gd4 tetrahedra, corners with two equivalent O(10)CaGd3 tetrahedra,  a cornercorner with one O(1)CaGd3 trigonal pyramid,  a cornercorner with one O(2)CaGd3 trigonal pyramid,  a cornercorner with one O(3)CaGd3 trigonal pyramid,  a cornercorner with one O(4)CaGd3 trigonal pyramid,  an edgeedge with one O(11)Ca2Gd4 octahedra, and edges with two equivalent O(12)CaGd5 octahedra. The corner-sharing octahedral tilt angles are 12°. In the tenth O site, O(10) is bonded to one Ca(2), one Gd(3), one Gd(5), and one Gd(8) atom to form OCaGd3 tetrahedra that share corners with two equivalent O(12)CaGd5 octahedra,  a cornercorner with one O(7)Gd5 square pyramid,  a cornercorner with one O(13)CaGd3 tetrahedra,  a cornercorner with one O(14)Gd4 tetrahedra,  a cornercorner with one O(5)Gd4 tetrahedra,  a cornercorner with one O(6)Gd4 tetrahedra, corners with two equivalent O(9)Ca2Gd2 tetrahedra,  a cornercorner with one O(1)CaGd3 trigonal pyramid,  a cornercorner with one O(2)CaGd3 trigonal pyramid,  a cornercorner with one O(3)CaGd3 trigonal pyramid,  a cornercorner with one O(4)CaGd3 trigonal pyramid,  an edgeedge with one O(12)CaGd5 octahedra, and edges with two equivalent O(11)Ca2Gd4 octahedra. The corner-sharing octahedral tilt angles are 12°. In the eleventh O site, O(11) is bonded to two equivalent Ca(2), one Gd(3), one Gd(4), one Gd(6), and one Gd(8) atom to form OCa2Gd4 octahedra that share corners with two equivalent O(9)Ca2Gd2 tetrahedra, corners with two equivalent O(13)CaGd3 tetrahedra, corners with two equivalent O(6)Gd4 tetrahedra,  a cornercorner with one O(3)CaGd3 trigonal pyramid,  an edgeedge with one O(11)Ca2Gd4 octahedra, edges with three equivalent O(12)CaGd5 octahedra,  an edgeedge with one O(7)Gd5 square pyramid,  an edgeedge with one O(8)Gd5 square pyramid,  an edgeedge with one O(9)Ca2Gd2 tetrahedra,  an edgeedge with one O(13)CaGd3 tetrahedra,  an edgeedge with one O(14)Gd4 tetrahedra,  an edgeedge with one O(5)Gd4 tetrahedra, and edges with two equivalent O(10)CaGd3 tetrahedra. In the twelfth O site, O(12) is bonded to one Ca(2), one Gd(3), one Gd(4), one Gd(7), and two equivalent Gd(8) atoms to form OCaGd5 octahedra that share corners with two equivalent O(10)CaGd3 tetrahedra, corners with two equivalent O(14)Gd4 tetrahedra, corners with two equivalent O(5)Gd4 tetrahedra,  a cornercorner with one O(4)CaGd3 trigonal pyramid,  an edgeedge with one O(12)CaGd5 octahedra, edges with three equivalent O(11)Ca2Gd4 octahedra,  an edgeedge with one O(7)Gd5 square pyramid,  an edgeedge with one O(8)Gd5 square pyramid,  an edgeedge with one O(10)CaGd3 tetrahedra,  an edgeedge with one O(13)CaGd3 tetrahedra,  an edgeedge with one O(14)Gd4 tetrahedra,  an edgeedge with one O(6)Gd4 tetrahedra, and edges with two equivalent O(9)Ca2Gd2 tetrahedra. In the thirteenth O site, O(13) is bonded to one Ca(2), one Gd(7), and two equivalent Gd(6) atoms to form OCaGd3 tetrahedra that share corners with two equivalent O(11)Ca2Gd4 octahedra,  a cornercorner with one O(7)Gd5 square pyramid, corners with three equivalent O(8)Gd5 square pyramids,  a cornercorner with one O(9)Ca2Gd2 tetrahedra,  a cornercorner with one O(10)CaGd3 tetrahedra, corners with two equivalent O(14)Gd4 tetrahedra,  a cornercorner with one O(4)CaGd3 trigonal pyramid, corners with two equivalent O(3)CaGd3 trigonal pyramids,  an edgeedge with one O(11)Ca2Gd4 octahedra,  an edgeedge with one O(12)CaGd5 octahedra,  an edgeedge with one O(7)Gd5 square pyramid,  an edgeedge with one O(13)CaGd3 tetrahedra, and  an edgeedge with one O(14)Gd4 tetrahedra. The corner-sharing octahedral tilt angles range from 10-43°. In the fourteenth O site, O(14) is bonded to one Gd(6), one Gd(8), and two equivalent Gd(7) atoms to form OGd4 tetrahedra that share corners with two equivalent O(12)CaGd5 octahedra,  a cornercorner with one O(8)Gd5 square pyramid, corners with three equivalent O(7)Gd5 square pyramids,  a cornercorner with one O(9)Ca2Gd2 tetrahedra,  a cornercorner with one O(10)CaGd3 tetrahedra, corners with two equivalent O(13)CaGd3 tetrahedra,  a cornercorner with one O(3)CaGd3 trigonal pyramid, corners with two equivalent O(4)CaGd3 trigonal pyramids,  an edgeedge with one O(11)Ca2Gd4 octahedra,  an edgeedge with one O(12)CaGd5 octahedra,  an edgeedge with one O(8)Gd5 square pyramid,  an edgeedge with one O(13)CaGd3 tetrahedra, and  an edgeedge with one O(14)Gd4 tetrahedra. The corner-sharing octahedral tilt angles range from 9-43°. is represented by the CIF card [CIF]
data_CaGd4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.216
_cell_length_b   9.208
_cell_length_c   11.637
_cell_angle_alpha   107.495
_cell_angle_beta   99.014
_cell_angle_gamma   89.948
_symmetry_Int_Tables_number   1
_cell_volume   727.465
_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  0.290  0.070  0.160  1.0
  Ca  Ca1  1  0.110  0.324  0.436  1.0
  Ca  Ca2  1  0.890  0.676  0.564  1.0
  Ca  Ca3  1  0.710  0.930  0.840  1.0
  Gd  Gd4  1  0.019  0.717  0.071  1.0
  Gd  Gd5  1  0.516  0.716  0.070  1.0
  Gd  Gd6  1  0.812  0.499  0.241  1.0
  Gd  Gd7  1  0.309  0.496  0.239  1.0
  Gd  Gd8  1  0.789  0.066  0.155  1.0
  Gd  Gd9  1  0.093  0.870  0.375  1.0
  Gd  Gd10  1  0.594  0.869  0.373  1.0
  Gd  Gd11  1  0.609  0.326  0.437  1.0
  Gd  Gd12  1  0.391  0.674  0.563  1.0
  Gd  Gd13  1  0.406  0.131  0.627  1.0
  Gd  Gd14  1  0.907  0.130  0.625  1.0
  Gd  Gd15  1  0.211  0.934  0.845  1.0
  Gd  Gd16  1  0.188  0.501  0.759  1.0
  Gd  Gd17  1  0.691  0.504  0.761  1.0
  Gd  Gd18  1  0.981  0.283  0.929  1.0
  Gd  Gd19  1  0.484  0.284  0.930  1.0
  O  O20  1  0.251  0.177  0.001  1.0
  O  O21  1  0.752  0.181  0.006  1.0
  O  O22  1  0.050  0.975  0.217  1.0
  O  O23  1  0.559  0.978  0.218  1.0
  O  O24  1  0.027  0.475  0.114  1.0
  O  O25  1  0.531  0.475  0.115  1.0
  O  O26  1  0.806  0.738  0.230  1.0
  O  O27  1  0.309  0.738  0.227  1.0
  O  O28  1  0.335  0.294  0.312  1.0
  O  O29  1  0.822  0.291  0.309  1.0
  O  O30  1  0.108  0.587  0.399  1.0
  O  O31  1  0.593  0.580  0.402  1.0
  O  O32  1  0.873  0.884  0.498  1.0
  O  O33  1  0.377  0.881  0.501  1.0
  O  O34  1  0.623  0.119  0.499  1.0
  O  O35  1  0.127  0.116  0.502  1.0
  O  O36  1  0.892  0.413  0.601  1.0
  O  O37  1  0.407  0.420  0.598  1.0
  O  O38  1  0.178  0.709  0.691  1.0
  O  O39  1  0.665  0.706  0.688  1.0
  O  O40  1  0.691  0.262  0.773  1.0
  O  O41  1  0.194  0.262  0.770  1.0
  O  O42  1  0.973  0.525  0.886  1.0
  O  O43  1  0.469  0.525  0.885  1.0
  O  O44  1  0.950  0.025  0.783  1.0
  O  O45  1  0.441  0.022  0.782  1.0
  O  O46  1  0.749  0.823  0.999  1.0
  O  O47  1  0.248  0.819  0.994  1.0
[/CIF]
.