The compound described by Nd4B4O11F2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(3), two equivalent O(5), two equivalent O(6), and one F(1) atom. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), and three equivalent F(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Nd(1), one Nd(2), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Nd(1), two equivalent Nd(2), and one B(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Nd(2), two equivalent Nd(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent B(1) atoms. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Nd(2), two equivalent Nd(1), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Nd(2), two equivalent Nd(1), and one B(1) atom. F(1) is bonded to one Nd(1) and three equivalent Nd(2) atoms to form a mixture of distorted corner and edge-sharing FNd4 tetrahedra. is represented by the CIF card [CIF]
data_Nd4B4O11F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.380
_cell_length_b   7.380
_cell_length_c   14.050
_cell_angle_alpha   88.973
_cell_angle_beta   88.973
_cell_angle_gamma   37.474
_symmetry_Int_Tables_number   1
_cell_volume   465.511
_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
  Nd  Nd0  1  0.465  0.418  0.371  1.0
  Nd  Nd1  1  0.582  0.535  0.129  1.0
  Nd  Nd2  1  0.535  0.582  0.629  1.0
  Nd  Nd3  1  0.418  0.465  0.871  1.0
  Nd  Nd4  1  0.742  0.700  0.371  1.0
  Nd  Nd5  1  0.300  0.258  0.129  1.0
  Nd  Nd6  1  0.258  0.300  0.629  1.0
  Nd  Nd7  1  0.700  0.742  0.871  1.0
  B  B8  1  0.073  0.112  0.285  1.0
  B  B9  1  0.888  0.927  0.215  1.0
  B  B10  1  0.927  0.888  0.715  1.0
  B  B11  1  0.112  0.073  0.785  1.0
  B  B12  1  0.858  0.953  0.527  1.0
  B  B13  1  0.047  0.142  0.973  1.0
  B  B14  1  0.142  0.047  0.473  1.0
  B  B15  1  0.953  0.858  0.027  1.0
  O  O16  1  0.962  0.213  0.393  1.0
  O  O17  1  0.787  0.038  0.107  1.0
  O  O18  1  0.038  0.787  0.607  1.0
  O  O19  1  0.213  0.962  0.893  1.0
  O  O20  1  0.647  0.011  0.257  1.0
  O  O21  1  0.989  0.353  0.243  1.0
  O  O22  1  0.353  0.989  0.743  1.0
  O  O23  1  0.011  0.647  0.757  1.0
  O  O24  1  0.586  0.254  0.536  1.0
  O  O25  1  0.746  0.414  0.964  1.0
  O  O26  1  0.414  0.746  0.464  1.0
  O  O27  1  0.254  0.586  0.036  1.0
  O  O28  1  0.856  0.144  0.250  1.0
  O  O29  1  0.144  0.856  0.750  1.0
  O  O30  1  0.945  0.828  0.438  1.0
  O  O31  1  0.172  0.055  0.062  1.0
  O  O32  1  0.055  0.172  0.562  1.0
  O  O33  1  0.828  0.945  0.938  1.0
  O  O34  1  0.378  0.821  0.275  1.0
  O  O35  1  0.179  0.622  0.225  1.0
  O  O36  1  0.622  0.179  0.725  1.0
  O  O37  1  0.821  0.378  0.775  1.0
  F  F38  1  0.293  0.247  0.424  1.0
  F  F39  1  0.753  0.707  0.076  1.0
  F  F40  1  0.707  0.753  0.576  1.0
  F  F41  1  0.247  0.293  0.924  1.0
[/CIF]
.
The compound described by Nd4B4O11F2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(3), two equivalent O(5), two equivalent O(6), and one F(1) atom. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), and three equivalent F(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Nd(1), one Nd(2), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Nd(1), two equivalent Nd(2), and one B(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Nd(2), two equivalent Nd(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent B(1) atoms. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Nd(2), two equivalent Nd(1), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Nd(2), two equivalent Nd(1), and one B(1) atom. F(1) is bonded to one Nd(1) and three equivalent Nd(2) atoms to form a mixture of distorted corner and edge-sharing FNd4 tetrahedra. is represented by the CIF card [CIF]
data_Nd4B4O11F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.380
_cell_length_b   7.380
_cell_length_c   14.050
_cell_angle_alpha   88.973
_cell_angle_beta   88.973
_cell_angle_gamma   37.474
_symmetry_Int_Tables_number   1
_cell_volume   465.511
_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
  Nd  Nd0  1  0.465  0.418  0.371  1.0
  Nd  Nd1  1  0.582  0.535  0.129  1.0
  Nd  Nd2  1  0.535  0.582  0.629  1.0
  Nd  Nd3  1  0.418  0.465  0.871  1.0
  Nd  Nd4  1  0.742  0.700  0.371  1.0
  Nd  Nd5  1  0.300  0.258  0.129  1.0
  Nd  Nd6  1  0.258  0.300  0.629  1.0
  Nd  Nd7  1  0.700  0.742  0.871  1.0
  B  B8  1  0.073  0.112  0.285  1.0
  B  B9  1  0.888  0.927  0.215  1.0
  B  B10  1  0.927  0.888  0.715  1.0
  B  B11  1  0.112  0.073  0.785  1.0
  B  B12  1  0.858  0.953  0.527  1.0
  B  B13  1  0.047  0.142  0.973  1.0
  B  B14  1  0.142  0.047  0.473  1.0
  B  B15  1  0.953  0.858  0.027  1.0
  O  O16  1  0.962  0.213  0.393  1.0
  O  O17  1  0.787  0.038  0.107  1.0
  O  O18  1  0.038  0.787  0.607  1.0
  O  O19  1  0.213  0.962  0.893  1.0
  O  O20  1  0.647  0.011  0.257  1.0
  O  O21  1  0.989  0.353  0.243  1.0
  O  O22  1  0.353  0.989  0.743  1.0
  O  O23  1  0.011  0.647  0.757  1.0
  O  O24  1  0.586  0.254  0.536  1.0
  O  O25  1  0.746  0.414  0.964  1.0
  O  O26  1  0.414  0.746  0.464  1.0
  O  O27  1  0.254  0.586  0.036  1.0
  O  O28  1  0.856  0.144  0.250  1.0
  O  O29  1  0.144  0.856  0.750  1.0
  O  O30  1  0.945  0.828  0.438  1.0
  O  O31  1  0.172  0.055  0.062  1.0
  O  O32  1  0.055  0.172  0.562  1.0
  O  O33  1  0.828  0.945  0.938  1.0
  O  O34  1  0.378  0.821  0.275  1.0
  O  O35  1  0.179  0.622  0.225  1.0
  O  O36  1  0.622  0.179  0.725  1.0
  O  O37  1  0.821  0.378  0.775  1.0
  F  F38  1  0.293  0.247  0.424  1.0
  F  F39  1  0.753  0.707  0.076  1.0
  F  F40  1  0.707  0.753  0.576  1.0
  F  F41  1  0.247  0.293  0.924  1.0
[/CIF]
.