The structure described by Ba4Nd7BSi12N27 crystallizes in the hexagonal P-6 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one N(1), two equivalent N(2), two equivalent N(7), and four equivalent N(6) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to six equivalent N(2) and six equivalent N(3) atoms. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to two equivalent N(2), two equivalent N(4), two equivalent N(5), and two equivalent N(6) atoms. In the second Nd site, Nd(2) is bonded in a 6-coordinate geometry to one N(3), one N(4), two equivalent N(1), and two equivalent N(6) atoms. In the third Nd site, Nd(3) is bonded in a distorted trigonal planar geometry to three equivalent N(5) atoms. B(1) is bonded in a trigonal planar geometry to three equivalent N(4) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent N(2) and two equivalent N(3) atoms to form corner-sharing SiN4 tetrahedra. In the second Si site, Si(2) is bonded to two equivalent N(6) and two equivalent N(7) atoms to form corner-sharing SiN4 tetrahedra. In the third Si site, Si(3) is bonded to one N(1), one N(5), and two equivalent N(2) atoms to form corner-sharing SiN4 tetrahedra. In the fourth Si site, Si(4) is bonded to one N(1), one N(5), and two equivalent N(6) atoms to form corner-sharing SiN4 tetrahedra. There are seven inequivalent N sites. In the first N site, N(5) is bonded in a 5-coordinate geometry to one Nd(3), two equivalent Nd(1), one Si(3), and one Si(4) atom. In the second N site, N(6) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Nd(1), one Nd(2), one Si(2), and one Si(4) atom. In the third N site, N(7) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1) and two equivalent Si(2) atoms. In the fourth N site, N(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1), two equivalent Nd(2), one Si(3), and one Si(4) atom. In the fifth N site, N(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Nd(1), one Si(1), and one Si(3) atom. In the sixth N site, N(3) is bonded in a 3-coordinate geometry to two equivalent Ba(2), one Nd(2), and two equivalent Si(1) atoms. In the seventh N site, N(4) is bonded in a 4-coordinate geometry to one Nd(2), two equivalent Nd(1), and one B(1) atom. is represented by the CIF card [CIF]
data_Ba4Nd7Si12BN27
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.337
_cell_length_b   12.337
_cell_length_c   5.476
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   721.738
_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  0.921  0.489  0.500  1.0
  Ba  Ba1  1  0.511  0.433  0.500  1.0
  Ba  Ba2  1  0.333  0.667  0.500  1.0
  Ba  Ba3  1  0.567  0.079  0.500  1.0
  Nd  Nd4  1  0.780  0.024  0.000  1.0
  Nd  Nd5  1  0.677  0.706  0.000  1.0
  Nd  Nd6  1  0.028  0.323  0.000  1.0
  Nd  Nd7  1  0.000  0.000  0.500  1.0
  Nd  Nd8  1  0.976  0.756  0.000  1.0
  Nd  Nd9  1  0.244  0.220  0.000  1.0
  Nd  Nd10  1  0.294  0.972  0.000  1.0
  Si  Si11  1  0.493  0.796  0.000  1.0
  Si  Si12  1  0.758  0.263  0.000  1.0
  Si  Si13  1  0.679  0.871  0.500  1.0
  Si  Si14  1  0.875  0.186  0.500  1.0
  Si  Si15  1  0.814  0.689  0.500  1.0
  Si  Si16  1  0.737  0.494  0.000  1.0
  Si  Si17  1  0.193  0.321  0.500  1.0
  Si  Si18  1  0.303  0.507  0.000  1.0
  Si  Si19  1  0.129  0.807  0.500  1.0
  Si  Si20  1  0.311  0.125  0.500  1.0
  Si  Si21  1  0.204  0.697  0.000  1.0
  Si  Si22  1  0.506  0.242  0.000  1.0
  B  B23  1  0.000  0.000  0.000  1.0
  N  N24  1  0.248  0.963  0.500  1.0
  N  N25  1  0.134  0.727  0.246  1.0
  N  N26  1  0.134  0.727  0.754  1.0
  N  N27  1  0.037  0.285  0.500  1.0
  N  N28  1  0.187  0.550  0.000  1.0
  N  N29  1  0.874  0.889  0.000  1.0
  N  N30  1  0.015  0.126  0.000  1.0
  N  N31  1  0.363  0.813  0.000  1.0
  N  N32  1  0.273  0.407  0.246  1.0
  N  N33  1  0.273  0.407  0.754  1.0
  N  N34  1  0.206  0.184  0.500  1.0
  N  N35  1  0.111  0.985  0.000  1.0
  N  N36  1  0.450  0.637  0.000  1.0
  N  N37  1  0.593  0.866  0.754  1.0
  N  N38  1  0.593  0.866  0.246  1.0
  N  N39  1  0.400  0.180  0.241  1.0
  N  N40  1  0.400  0.180  0.759  1.0
  N  N41  1  0.715  0.752  0.500  1.0
  N  N42  1  0.577  0.402  0.000  1.0
  N  N43  1  0.779  0.600  0.241  1.0
  N  N44  1  0.779  0.600  0.759  1.0
  N  N45  1  0.598  0.175  0.000  1.0
  N  N46  1  0.978  0.794  0.500  1.0
  N  N47  1  0.825  0.423  0.000  1.0
  N  N48  1  0.820  0.221  0.759  1.0
  N  N49  1  0.820  0.221  0.241  1.0
  N  N50  1  0.816  0.022  0.500  1.0
[/CIF]
.
The structure described by Ba4Nd7BSi12N27 crystallizes in the hexagonal P-6 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one N(1), two equivalent N(2), two equivalent N(7), and four equivalent N(6) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to six equivalent N(2) and six equivalent N(3) atoms. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to two equivalent N(2), two equivalent N(4), two equivalent N(5), and two equivalent N(6) atoms. In the second Nd site, Nd(2) is bonded in a 6-coordinate geometry to one N(3), one N(4), two equivalent N(1), and two equivalent N(6) atoms. In the third Nd site, Nd(3) is bonded in a distorted trigonal planar geometry to three equivalent N(5) atoms. B(1) is bonded in a trigonal planar geometry to three equivalent N(4) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent N(2) and two equivalent N(3) atoms to form corner-sharing SiN4 tetrahedra. In the second Si site, Si(2) is bonded to two equivalent N(6) and two equivalent N(7) atoms to form corner-sharing SiN4 tetrahedra. In the third Si site, Si(3) is bonded to one N(1), one N(5), and two equivalent N(2) atoms to form corner-sharing SiN4 tetrahedra. In the fourth Si site, Si(4) is bonded to one N(1), one N(5), and two equivalent N(6) atoms to form corner-sharing SiN4 tetrahedra. There are seven inequivalent N sites. In the first N site, N(5) is bonded in a 5-coordinate geometry to one Nd(3), two equivalent Nd(1), one Si(3), and one Si(4) atom. In the second N site, N(6) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Nd(1), one Nd(2), one Si(2), and one Si(4) atom. In the third N site, N(7) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1) and two equivalent Si(2) atoms. In the fourth N site, N(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1), two equivalent Nd(2), one Si(3), and one Si(4) atom. In the fifth N site, N(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Nd(1), one Si(1), and one Si(3) atom. In the sixth N site, N(3) is bonded in a 3-coordinate geometry to two equivalent Ba(2), one Nd(2), and two equivalent Si(1) atoms. In the seventh N site, N(4) is bonded in a 4-coordinate geometry to one Nd(2), two equivalent Nd(1), and one B(1) atom. is represented by the CIF card [CIF]
data_Ba4Nd7Si12BN27
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.337
_cell_length_b   12.337
_cell_length_c   5.476
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   721.738
_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  0.921  0.489  0.500  1.0
  Ba  Ba1  1  0.511  0.433  0.500  1.0
  Ba  Ba2  1  0.333  0.667  0.500  1.0
  Ba  Ba3  1  0.567  0.079  0.500  1.0
  Nd  Nd4  1  0.780  0.024  0.000  1.0
  Nd  Nd5  1  0.677  0.706  0.000  1.0
  Nd  Nd6  1  0.028  0.323  0.000  1.0
  Nd  Nd7  1  0.000  0.000  0.500  1.0
  Nd  Nd8  1  0.976  0.756  0.000  1.0
  Nd  Nd9  1  0.244  0.220  0.000  1.0
  Nd  Nd10  1  0.294  0.972  0.000  1.0
  Si  Si11  1  0.493  0.796  0.000  1.0
  Si  Si12  1  0.758  0.263  0.000  1.0
  Si  Si13  1  0.679  0.871  0.500  1.0
  Si  Si14  1  0.875  0.186  0.500  1.0
  Si  Si15  1  0.814  0.689  0.500  1.0
  Si  Si16  1  0.737  0.494  0.000  1.0
  Si  Si17  1  0.193  0.321  0.500  1.0
  Si  Si18  1  0.303  0.507  0.000  1.0
  Si  Si19  1  0.129  0.807  0.500  1.0
  Si  Si20  1  0.311  0.125  0.500  1.0
  Si  Si21  1  0.204  0.697  0.000  1.0
  Si  Si22  1  0.506  0.242  0.000  1.0
  B  B23  1  0.000  0.000  0.000  1.0
  N  N24  1  0.248  0.963  0.500  1.0
  N  N25  1  0.134  0.727  0.246  1.0
  N  N26  1  0.134  0.727  0.754  1.0
  N  N27  1  0.037  0.285  0.500  1.0
  N  N28  1  0.187  0.550  0.000  1.0
  N  N29  1  0.874  0.889  0.000  1.0
  N  N30  1  0.015  0.126  0.000  1.0
  N  N31  1  0.363  0.813  0.000  1.0
  N  N32  1  0.273  0.407  0.246  1.0
  N  N33  1  0.273  0.407  0.754  1.0
  N  N34  1  0.206  0.184  0.500  1.0
  N  N35  1  0.111  0.985  0.000  1.0
  N  N36  1  0.450  0.637  0.000  1.0
  N  N37  1  0.593  0.866  0.754  1.0
  N  N38  1  0.593  0.866  0.246  1.0
  N  N39  1  0.400  0.180  0.241  1.0
  N  N40  1  0.400  0.180  0.759  1.0
  N  N41  1  0.715  0.752  0.500  1.0
  N  N42  1  0.577  0.402  0.000  1.0
  N  N43  1  0.779  0.600  0.241  1.0
  N  N44  1  0.779  0.600  0.759  1.0
  N  N45  1  0.598  0.175  0.000  1.0
  N  N46  1  0.978  0.794  0.500  1.0
  N  N47  1  0.825  0.423  0.000  1.0
  N  N48  1  0.820  0.221  0.759  1.0
  N  N49  1  0.820  0.221  0.241  1.0
  N  N50  1  0.816  0.022  0.500  1.0
[/CIF]
.