The material structure described by Na4BaTi2Si10(BO15)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(7), one O(8), and one O(9) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(15), one O(4), one O(6), and one O(7) atom. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(11), two equivalent O(12), two equivalent O(13), two equivalent O(2), and two equivalent O(8) atoms. Ti(1) is bonded to one O(11), one O(12), one O(13), one O(14), one O(15), and one O(4) atom to form distorted TiO6 octahedra that share  an edgeedge with one Si(3)O4 tetrahedra,  an edgeedge with one Si(4)O4 tetrahedra, and  an edgeedge with one Si(5)O4 tetrahedra. B(1) is bonded to one O(1), one O(7), one O(8), and one O(9) atom to form BO4 tetrahedra that share corners with two equivalent Si(1)O4 tetrahedra and  an edgeedge with one Si(2)O5 trigonal bipyramid. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(10), one O(6), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and corners with two equivalent B(1)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(5), one O(7), one O(8), and two equivalent O(3) atoms to form distorted SiO5 trigonal bipyramids that share  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Si(5)O4 tetrahedra,  an edgeedge with one B(1)O4 tetrahedra, and  an edgeedge with one Si(2)O5 trigonal bipyramid. In the third Si site, Si(3) is bonded to one O(12), one O(2), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  an edgeedge with one Ti(1)O6 octahedra. In the fourth Si site, Si(4) is bonded to one O(11), one O(15), one O(2), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(2)O5 trigonal bipyramid, and  an edgeedge with one Ti(1)O6 octahedra. In the fifth Si site, Si(5) is bonded to one O(10), one O(13), one O(14), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Si(2)O5 trigonal bipyramids, and  an edgeedge with one Ti(1)O6 octahedra. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one B(1) and one Si(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Si(3), and one Si(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Si(5) and two equivalent Si(2) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Na(2), one Ti(1), and one Si(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Na(2), one Si(1), and one Si(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), one B(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a distorted L-shaped geometry to one Na(1), one Ba(1), one B(1), and one Si(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(1), one B(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Si(1), and one Si(5) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one Ba(1), one Ti(1), and one Si(4) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(1), one Ba(1), one Ti(1), and one Si(3) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Na(1), one Ba(1), one Ti(1), and one Si(5) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Na(2), one Ti(1), and one Si(5) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Na(2), one Ti(1), and one Si(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaNa4Ti2Si10(BO15)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.568
_cell_length_b   9.755
_cell_length_c   9.761
_cell_angle_alpha   62.966
_cell_angle_beta   85.893
_cell_angle_gamma   84.771
_symmetry_Int_Tables_number   1
_cell_volume   638.812
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Na  Na1  1  0.427  0.735  0.064  1.0
  Na  Na2  1  0.436  0.266  0.385  1.0
  Na  Na3  1  0.564  0.734  0.615  1.0
  Na  Na4  1  0.573  0.265  0.936  1.0
  Ti  Ti5  1  0.575  0.893  0.270  1.0
  Ti  Ti6  1  0.425  0.107  0.730  1.0
  Si  Si7  1  0.816  0.398  0.164  1.0
  Si  Si8  1  0.897  0.411  0.647  1.0
  Si  Si9  1  0.828  0.055  0.294  1.0
  Si  Si10  1  0.774  0.098  0.687  1.0
  Si  Si11  1  0.714  0.623  0.300  1.0
  Si  Si12  1  0.286  0.377  0.700  1.0
  Si  Si13  1  0.226  0.902  0.313  1.0
  Si  Si14  1  0.172  0.945  0.706  1.0
  Si  Si15  1  0.103  0.589  0.353  1.0
  Si  Si16  1  0.184  0.602  0.836  1.0
  B  B17  1  0.860  0.458  0.855  1.0
  B  B18  1  0.140  0.542  0.145  1.0
  O  O19  1  0.021  0.428  0.162  1.0
  O  O20  1  0.954  0.976  0.732  1.0
  O  O21  1  0.886  0.549  0.419  1.0
  O  O22  1  0.741  0.901  0.420  1.0
  O  O23  1  0.847  0.271  0.611  1.0
  O  O24  1  0.792  0.220  0.301  1.0
  O  O25  1  0.756  0.519  0.705  1.0
  O  O26  1  0.947  0.321  0.840  1.0
  O  O27  1  0.747  0.418  0.999  1.0
  O  O28  1  0.680  0.503  0.228  1.0
  O  O29  1  0.649  0.074  0.843  1.0
  O  O30  1  0.713  0.076  0.146  1.0
  O  O31  1  0.721  0.797  0.157  1.0
  O  O32  1  0.558  0.666  0.400  1.0
  O  O33  1  0.619  0.072  0.595  1.0
  O  O34  1  0.381  0.928  0.405  1.0
  O  O35  1  0.442  0.334  0.600  1.0
  O  O36  1  0.279  0.203  0.843  1.0
  O  O37  1  0.287  0.924  0.854  1.0
  O  O38  1  0.351  0.926  0.157  1.0
  O  O39  1  0.320  0.497  0.772  1.0
  O  O40  1  0.253  0.582  0.001  1.0
  O  O41  1  0.053  0.679  0.160  1.0
  O  O42  1  0.244  0.481  0.295  1.0
  O  O43  1  0.208  0.780  0.699  1.0
  O  O44  1  0.153  0.729  0.389  1.0
  O  O45  1  0.259  0.099  0.580  1.0
  O  O46  1  0.114  0.451  0.581  1.0
  O  O47  1  0.046  0.024  0.268  1.0
  O  O48  1  0.979  0.572  0.838  1.0
[/CIF]
.
The material structure described by Na4BaTi2Si10(BO15)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(7), one O(8), and one O(9) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(15), one O(4), one O(6), and one O(7) atom. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(11), two equivalent O(12), two equivalent O(13), two equivalent O(2), and two equivalent O(8) atoms. Ti(1) is bonded to one O(11), one O(12), one O(13), one O(14), one O(15), and one O(4) atom to form distorted TiO6 octahedra that share  an edgeedge with one Si(3)O4 tetrahedra,  an edgeedge with one Si(4)O4 tetrahedra, and  an edgeedge with one Si(5)O4 tetrahedra. B(1) is bonded to one O(1), one O(7), one O(8), and one O(9) atom to form BO4 tetrahedra that share corners with two equivalent Si(1)O4 tetrahedra and  an edgeedge with one Si(2)O5 trigonal bipyramid. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(10), one O(6), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and corners with two equivalent B(1)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(5), one O(7), one O(8), and two equivalent O(3) atoms to form distorted SiO5 trigonal bipyramids that share  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Si(5)O4 tetrahedra,  an edgeedge with one B(1)O4 tetrahedra, and  an edgeedge with one Si(2)O5 trigonal bipyramid. In the third Si site, Si(3) is bonded to one O(12), one O(2), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  an edgeedge with one Ti(1)O6 octahedra. In the fourth Si site, Si(4) is bonded to one O(11), one O(15), one O(2), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(2)O5 trigonal bipyramid, and  an edgeedge with one Ti(1)O6 octahedra. In the fifth Si site, Si(5) is bonded to one O(10), one O(13), one O(14), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Si(2)O5 trigonal bipyramids, and  an edgeedge with one Ti(1)O6 octahedra. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one B(1) and one Si(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Si(3), and one Si(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Si(5) and two equivalent Si(2) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Na(2), one Ti(1), and one Si(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Na(2), one Si(1), and one Si(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), one B(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a distorted L-shaped geometry to one Na(1), one Ba(1), one B(1), and one Si(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(1), one B(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Si(1), and one Si(5) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one Ba(1), one Ti(1), and one Si(4) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(1), one Ba(1), one Ti(1), and one Si(3) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Na(1), one Ba(1), one Ti(1), and one Si(5) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Na(2), one Ti(1), and one Si(5) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Na(2), one Ti(1), and one Si(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaNa4Ti2Si10(BO15)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.568
_cell_length_b   9.755
_cell_length_c   9.761
_cell_angle_alpha   62.966
_cell_angle_beta   85.893
_cell_angle_gamma   84.771
_symmetry_Int_Tables_number   1
_cell_volume   638.812
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Na  Na1  1  0.427  0.735  0.064  1.0
  Na  Na2  1  0.436  0.266  0.385  1.0
  Na  Na3  1  0.564  0.734  0.615  1.0
  Na  Na4  1  0.573  0.265  0.936  1.0
  Ti  Ti5  1  0.575  0.893  0.270  1.0
  Ti  Ti6  1  0.425  0.107  0.730  1.0
  Si  Si7  1  0.816  0.398  0.164  1.0
  Si  Si8  1  0.897  0.411  0.647  1.0
  Si  Si9  1  0.828  0.055  0.294  1.0
  Si  Si10  1  0.774  0.098  0.687  1.0
  Si  Si11  1  0.714  0.623  0.300  1.0
  Si  Si12  1  0.286  0.377  0.700  1.0
  Si  Si13  1  0.226  0.902  0.313  1.0
  Si  Si14  1  0.172  0.945  0.706  1.0
  Si  Si15  1  0.103  0.589  0.353  1.0
  Si  Si16  1  0.184  0.602  0.836  1.0
  B  B17  1  0.860  0.458  0.855  1.0
  B  B18  1  0.140  0.542  0.145  1.0
  O  O19  1  0.021  0.428  0.162  1.0
  O  O20  1  0.954  0.976  0.732  1.0
  O  O21  1  0.886  0.549  0.419  1.0
  O  O22  1  0.741  0.901  0.420  1.0
  O  O23  1  0.847  0.271  0.611  1.0
  O  O24  1  0.792  0.220  0.301  1.0
  O  O25  1  0.756  0.519  0.705  1.0
  O  O26  1  0.947  0.321  0.840  1.0
  O  O27  1  0.747  0.418  0.999  1.0
  O  O28  1  0.680  0.503  0.228  1.0
  O  O29  1  0.649  0.074  0.843  1.0
  O  O30  1  0.713  0.076  0.146  1.0
  O  O31  1  0.721  0.797  0.157  1.0
  O  O32  1  0.558  0.666  0.400  1.0
  O  O33  1  0.619  0.072  0.595  1.0
  O  O34  1  0.381  0.928  0.405  1.0
  O  O35  1  0.442  0.334  0.600  1.0
  O  O36  1  0.279  0.203  0.843  1.0
  O  O37  1  0.287  0.924  0.854  1.0
  O  O38  1  0.351  0.926  0.157  1.0
  O  O39  1  0.320  0.497  0.772  1.0
  O  O40  1  0.253  0.582  0.001  1.0
  O  O41  1  0.053  0.679  0.160  1.0
  O  O42  1  0.244  0.481  0.295  1.0
  O  O43  1  0.208  0.780  0.699  1.0
  O  O44  1  0.153  0.729  0.389  1.0
  O  O45  1  0.259  0.099  0.580  1.0
  O  O46  1  0.114  0.451  0.581  1.0
  O  O47  1  0.046  0.024  0.268  1.0
  O  O48  1  0.979  0.572  0.838  1.0
[/CIF]
.