The material structure described by KNd2Br5 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent Br(1), two equivalent Br(2), two equivalent Br(3), and two equivalent Br(4) atoms. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to two equivalent Br(2), two equivalent Br(3), two equivalent Br(4), and two equivalent Br(5) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one Br(2), one Br(3), one Br(4), two equivalent Br(1), and two equivalent Br(5) atoms. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Nd(2) atoms. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Nd(2), and two equivalent Nd(1) atoms. In the third Br site, Br(3) is bonded to two equivalent K(1), one Nd(2), and two equivalent Nd(1) atoms to form distorted BrK2Nd3 trigonal bipyramids that share corners with four equivalent Br(4)K2Nd3 square pyramids, corners with two equivalent Br(5)Nd4 tetrahedra, corners with four equivalent Br(3)K2Nd3 trigonal bipyramids,  an edgeedge with one Br(4)K2Nd3 square pyramid, edges with two equivalent Br(5)Nd4 tetrahedra, and  a faceface with one Br(4)K2Nd3 square pyramid. In the fourth Br site, Br(4) is bonded to two equivalent K(1), one Nd(2), and two equivalent Nd(1) atoms to form distorted BrK2Nd3 square pyramids that share corners with four equivalent Br(5)Nd4 tetrahedra, corners with four equivalent Br(3)K2Nd3 trigonal bipyramids, edges with two equivalent Br(4)K2Nd3 square pyramids,  an edgeedge with one Br(5)Nd4 tetrahedra,  an edgeedge with one Br(3)K2Nd3 trigonal bipyramid, and  a faceface with one Br(3)K2Nd3 trigonal bipyramid. In the fifth Br site, Br(5) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form distorted BrNd4 tetrahedra that share corners with four equivalent Br(4)K2Nd3 square pyramids, corners with two equivalent Br(5)Nd4 tetrahedra, corners with two equivalent Br(3)K2Nd3 trigonal bipyramids,  an edgeedge with one Br(4)K2Nd3 square pyramid,  an edgeedge with one Br(5)Nd4 tetrahedra, and edges with two equivalent Br(3)K2Nd3 trigonal bipyramids. is represented by the CIF card [CIF]
data_KNd2Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.588
_cell_length_b   9.181
_cell_length_c   14.236
_cell_angle_alpha   89.858
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   991.691
_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
  K  K0  1  0.055  0.496  0.332  1.0
  K  K1  1  0.945  0.504  0.668  1.0
  K  K2  1  0.555  0.504  0.168  1.0
  K  K3  1  0.445  0.496  0.832  1.0
  Nd  Nd4  1  0.104  0.991  0.344  1.0
  Nd  Nd5  1  0.896  0.009  0.656  1.0
  Nd  Nd6  1  0.604  0.009  0.156  1.0
  Nd  Nd7  1  0.396  0.991  0.844  1.0
  Nd  Nd8  1  0.033  0.204  0.999  1.0
  Nd  Nd9  1  0.967  0.796  0.001  1.0
  Nd  Nd10  1  0.533  0.796  0.501  1.0
  Nd  Nd11  1  0.467  0.204  0.499  1.0
  Br  Br12  1  0.173  0.526  0.079  1.0
  Br  Br13  1  0.827  0.474  0.921  1.0
  Br  Br14  1  0.673  0.474  0.421  1.0
  Br  Br15  1  0.327  0.526  0.579  1.0
  Br  Br16  1  0.851  0.253  0.184  1.0
  Br  Br17  1  0.149  0.747  0.816  1.0
  Br  Br18  1  0.351  0.747  0.316  1.0
  Br  Br19  1  0.649  0.253  0.684  1.0
  Br  Br20  1  0.340  0.240  0.294  1.0
  Br  Br21  1  0.660  0.760  0.706  1.0
  Br  Br22  1  0.840  0.760  0.206  1.0
  Br  Br23  1  0.160  0.240  0.794  1.0
  Br  Br24  1  0.453  0.211  0.999  1.0
  Br  Br25  1  0.547  0.789  0.001  1.0
  Br  Br26  1  0.953  0.789  0.501  1.0
  Br  Br27  1  0.047  0.211  0.499  1.0
  Br  Br28  1  0.693  0.024  0.366  1.0
  Br  Br29  1  0.307  0.976  0.634  1.0
  Br  Br30  1  0.193  0.976  0.134  1.0
  Br  Br31  1  0.807  0.024  0.866  1.0
[/CIF]
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The material structure described by KNd2Br5 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent Br(1), two equivalent Br(2), two equivalent Br(3), and two equivalent Br(4) atoms. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to two equivalent Br(2), two equivalent Br(3), two equivalent Br(4), and two equivalent Br(5) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one Br(2), one Br(3), one Br(4), two equivalent Br(1), and two equivalent Br(5) atoms. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Nd(2) atoms. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Nd(2), and two equivalent Nd(1) atoms. In the third Br site, Br(3) is bonded to two equivalent K(1), one Nd(2), and two equivalent Nd(1) atoms to form distorted BrK2Nd3 trigonal bipyramids that share corners with four equivalent Br(4)K2Nd3 square pyramids, corners with two equivalent Br(5)Nd4 tetrahedra, corners with four equivalent Br(3)K2Nd3 trigonal bipyramids,  an edgeedge with one Br(4)K2Nd3 square pyramid, edges with two equivalent Br(5)Nd4 tetrahedra, and  a faceface with one Br(4)K2Nd3 square pyramid. In the fourth Br site, Br(4) is bonded to two equivalent K(1), one Nd(2), and two equivalent Nd(1) atoms to form distorted BrK2Nd3 square pyramids that share corners with four equivalent Br(5)Nd4 tetrahedra, corners with four equivalent Br(3)K2Nd3 trigonal bipyramids, edges with two equivalent Br(4)K2Nd3 square pyramids,  an edgeedge with one Br(5)Nd4 tetrahedra,  an edgeedge with one Br(3)K2Nd3 trigonal bipyramid, and  a faceface with one Br(3)K2Nd3 trigonal bipyramid. In the fifth Br site, Br(5) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form distorted BrNd4 tetrahedra that share corners with four equivalent Br(4)K2Nd3 square pyramids, corners with two equivalent Br(5)Nd4 tetrahedra, corners with two equivalent Br(3)K2Nd3 trigonal bipyramids,  an edgeedge with one Br(4)K2Nd3 square pyramid,  an edgeedge with one Br(5)Nd4 tetrahedra, and edges with two equivalent Br(3)K2Nd3 trigonal bipyramids. is represented by the CIF card [CIF]
data_KNd2Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.588
_cell_length_b   9.181
_cell_length_c   14.236
_cell_angle_alpha   89.858
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   991.691
_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
  K  K0  1  0.055  0.496  0.332  1.0
  K  K1  1  0.945  0.504  0.668  1.0
  K  K2  1  0.555  0.504  0.168  1.0
  K  K3  1  0.445  0.496  0.832  1.0
  Nd  Nd4  1  0.104  0.991  0.344  1.0
  Nd  Nd5  1  0.896  0.009  0.656  1.0
  Nd  Nd6  1  0.604  0.009  0.156  1.0
  Nd  Nd7  1  0.396  0.991  0.844  1.0
  Nd  Nd8  1  0.033  0.204  0.999  1.0
  Nd  Nd9  1  0.967  0.796  0.001  1.0
  Nd  Nd10  1  0.533  0.796  0.501  1.0
  Nd  Nd11  1  0.467  0.204  0.499  1.0
  Br  Br12  1  0.173  0.526  0.079  1.0
  Br  Br13  1  0.827  0.474  0.921  1.0
  Br  Br14  1  0.673  0.474  0.421  1.0
  Br  Br15  1  0.327  0.526  0.579  1.0
  Br  Br16  1  0.851  0.253  0.184  1.0
  Br  Br17  1  0.149  0.747  0.816  1.0
  Br  Br18  1  0.351  0.747  0.316  1.0
  Br  Br19  1  0.649  0.253  0.684  1.0
  Br  Br20  1  0.340  0.240  0.294  1.0
  Br  Br21  1  0.660  0.760  0.706  1.0
  Br  Br22  1  0.840  0.760  0.206  1.0
  Br  Br23  1  0.160  0.240  0.794  1.0
  Br  Br24  1  0.453  0.211  0.999  1.0
  Br  Br25  1  0.547  0.789  0.001  1.0
  Br  Br26  1  0.953  0.789  0.501  1.0
  Br  Br27  1  0.047  0.211  0.499  1.0
  Br  Br28  1  0.693  0.024  0.366  1.0
  Br  Br29  1  0.307  0.976  0.634  1.0
  Br  Br30  1  0.193  0.976  0.134  1.0
  Br  Br31  1  0.807  0.024  0.866  1.0
[/CIF]
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