The material described by Ba2Gd2Si4O13 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to one O(3), one O(4), one O(5), one O(7), two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. Gd(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form corner-sharing SiO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent Ba(1), one Gd(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Gd(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1) and two equivalent Si(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Gd(1), one Si(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one Gd(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Gd(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Gd(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_Ba2Gd2Si4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.041
_cell_length_b   7.041
_cell_length_c   17.718
_cell_angle_alpha   77.103
_cell_angle_beta   77.103
_cell_angle_gamma   43.996
_symmetry_Int_Tables_number   1
_cell_volume   592.239
_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
  Ba  Ba0  1  0.333  0.341  0.833  1.0
  Ba  Ba1  1  0.659  0.667  0.667  1.0
  Ba  Ba2  1  0.667  0.659  0.167  1.0
  Ba  Ba3  1  0.341  0.333  0.333  1.0
  Gd  Gd4  1  0.396  0.374  0.584  1.0
  Gd  Gd5  1  0.626  0.604  0.916  1.0
  Gd  Gd6  1  0.604  0.626  0.416  1.0
  Gd  Gd7  1  0.374  0.396  0.084  1.0
  Si  Si8  1  0.982  0.893  0.684  1.0
  Si  Si9  1  0.107  0.018  0.816  1.0
  Si  Si10  1  0.018  0.107  0.316  1.0
  Si  Si11  1  0.893  0.982  0.184  1.0
  Si  Si12  1  0.085  0.152  0.544  1.0
  Si  Si13  1  0.848  0.915  0.956  1.0
  Si  Si14  1  0.915  0.848  0.456  1.0
  Si  Si15  1  0.152  0.085  0.044  1.0
  O  O16  1  0.661  0.177  0.689  1.0
  O  O17  1  0.823  0.339  0.811  1.0
  O  O18  1  0.339  0.823  0.311  1.0
  O  O19  1  0.177  0.661  0.189  1.0
  O  O20  1  0.062  0.610  0.693  1.0
  O  O21  1  0.390  0.938  0.807  1.0
  O  O22  1  0.938  0.390  0.307  1.0
  O  O23  1  0.610  0.062  0.193  1.0
  O  O24  1  0.144  0.856  0.750  1.0
  O  O25  1  0.856  0.144  0.250  1.0
  O  O26  1  0.162  0.876  0.600  1.0
  O  O27  1  0.124  0.838  0.900  1.0
  O  O28  1  0.838  0.124  0.400  1.0
  O  O29  1  0.876  0.162  0.100  1.0
  O  O30  1  0.258  0.056  0.459  1.0
  O  O31  1  0.944  0.742  0.041  1.0
  O  O32  1  0.742  0.944  0.541  1.0
  O  O33  1  0.056  0.258  0.959  1.0
  O  O34  1  0.165  0.248  0.596  1.0
  O  O35  1  0.752  0.835  0.904  1.0
  O  O36  1  0.835  0.752  0.404  1.0
  O  O37  1  0.248  0.165  0.096  1.0
  O  O38  1  0.748  0.395  0.538  1.0
  O  O39  1  0.605  0.252  0.962  1.0
  O  O40  1  0.252  0.605  0.462  1.0
  O  O41  1  0.395  0.748  0.038  1.0
[/CIF]
.
The material described by Ba2Gd2Si4O13 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to one O(3), one O(4), one O(5), one O(7), two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. Gd(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form corner-sharing SiO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent Ba(1), one Gd(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Gd(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1) and two equivalent Si(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Gd(1), one Si(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one Gd(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Gd(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Gd(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_Ba2Gd2Si4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.041
_cell_length_b   7.041
_cell_length_c   17.718
_cell_angle_alpha   77.103
_cell_angle_beta   77.103
_cell_angle_gamma   43.996
_symmetry_Int_Tables_number   1
_cell_volume   592.239
_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
  Ba  Ba0  1  0.333  0.341  0.833  1.0
  Ba  Ba1  1  0.659  0.667  0.667  1.0
  Ba  Ba2  1  0.667  0.659  0.167  1.0
  Ba  Ba3  1  0.341  0.333  0.333  1.0
  Gd  Gd4  1  0.396  0.374  0.584  1.0
  Gd  Gd5  1  0.626  0.604  0.916  1.0
  Gd  Gd6  1  0.604  0.626  0.416  1.0
  Gd  Gd7  1  0.374  0.396  0.084  1.0
  Si  Si8  1  0.982  0.893  0.684  1.0
  Si  Si9  1  0.107  0.018  0.816  1.0
  Si  Si10  1  0.018  0.107  0.316  1.0
  Si  Si11  1  0.893  0.982  0.184  1.0
  Si  Si12  1  0.085  0.152  0.544  1.0
  Si  Si13  1  0.848  0.915  0.956  1.0
  Si  Si14  1  0.915  0.848  0.456  1.0
  Si  Si15  1  0.152  0.085  0.044  1.0
  O  O16  1  0.661  0.177  0.689  1.0
  O  O17  1  0.823  0.339  0.811  1.0
  O  O18  1  0.339  0.823  0.311  1.0
  O  O19  1  0.177  0.661  0.189  1.0
  O  O20  1  0.062  0.610  0.693  1.0
  O  O21  1  0.390  0.938  0.807  1.0
  O  O22  1  0.938  0.390  0.307  1.0
  O  O23  1  0.610  0.062  0.193  1.0
  O  O24  1  0.144  0.856  0.750  1.0
  O  O25  1  0.856  0.144  0.250  1.0
  O  O26  1  0.162  0.876  0.600  1.0
  O  O27  1  0.124  0.838  0.900  1.0
  O  O28  1  0.838  0.124  0.400  1.0
  O  O29  1  0.876  0.162  0.100  1.0
  O  O30  1  0.258  0.056  0.459  1.0
  O  O31  1  0.944  0.742  0.041  1.0
  O  O32  1  0.742  0.944  0.541  1.0
  O  O33  1  0.056  0.258  0.959  1.0
  O  O34  1  0.165  0.248  0.596  1.0
  O  O35  1  0.752  0.835  0.904  1.0
  O  O36  1  0.835  0.752  0.404  1.0
  O  O37  1  0.248  0.165  0.096  1.0
  O  O38  1  0.748  0.395  0.538  1.0
  O  O39  1  0.605  0.252  0.962  1.0
  O  O40  1  0.252  0.605  0.462  1.0
  O  O41  1  0.395  0.748  0.038  1.0
[/CIF]
.