The material structure described by SrNd5Fe6(AsO)6 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 4-coordinate geometry to one As(1), one As(3), one As(4), one As(6), one O(1), one O(2), one O(4), and one O(5) atom. There are five inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(3), one As(4), one O(1), one O(3), and two equivalent O(2) atoms. In the second Nd site, Nd(2) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(3), one As(5), one O(3), one O(5), and two equivalent O(1) atoms. In the third Nd site, Nd(3) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(5), one As(6), one O(2), one O(3), one O(4), and one O(6) atom. In the fourth Nd site, Nd(4) is bonded in a 4-coordinate geometry to one As(3), one As(4), one As(5), one As(6), one O(3), one O(5), and two equivalent O(6) atoms. In the fifth Nd site, Nd(5) is bonded in a 4-coordinate geometry to one As(2), one As(4), one As(5), one As(6), one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one As(1), one As(3), and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the second Fe site, Fe(2) is bonded to one As(1), one As(2), one As(4), and one As(5) atom to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the third Fe site, Fe(3) is bonded to one As(3), one As(5), and two equivalent As(1) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one As(2), one As(3), one As(4), and one As(6) atom to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the fifth Fe site, Fe(5) is bonded to one As(3), one As(5), and two equivalent As(6) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the sixth Fe site, Fe(6) is bonded to one As(5), one As(6), and two equivalent As(4) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. There are six inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to one Sr(1), one Nd(1), one Nd(2), one Nd(3), one Fe(1), one Fe(2), and two equivalent Fe(3) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to one Nd(1), one Nd(2), one Nd(3), one Nd(5), one Fe(2), one Fe(4), and two equivalent Fe(1) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to one Sr(1), one Nd(1), one Nd(2), one Nd(4), one Fe(1), one Fe(3), one Fe(4), and one Fe(5) atom. In the fourth As site, As(4) is bonded in a 8-coordinate geometry to one Sr(1), one Nd(1), one Nd(4), one Nd(5), one Fe(2), one Fe(4), and two equivalent Fe(6) atoms. In the fifth As site, As(5) is bonded in a 8-coordinate geometry to one Nd(2), one Nd(3), one Nd(4), one Nd(5), one Fe(2), one Fe(3), one Fe(5), and one Fe(6) atom. In the sixth As site, As(6) is bonded in a 8-coordinate geometry to one Sr(1), one Nd(3), one Nd(4), one Nd(5), one Fe(4), one Fe(6), and two equivalent Fe(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Nd(1), and two equivalent Nd(2) atoms to form OSrNd3 tetrahedra that share  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one O(2)SrNd3 tetrahedra,  a cornercorner with one O(4)SrNd3 tetrahedra,  a cornercorner with one O(5)SrNd3 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra,  an edgeedge with one O(1)SrNd3 tetrahedra,  an edgeedge with one O(2)SrNd3 tetrahedra, and  an edgeedge with one O(5)SrNd3 tetrahedra. In the second O site, O(2) is bonded to one Sr(1), one Nd(3), and two equivalent Nd(1) atoms to form OSrNd3 tetrahedra that share  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one O(6)Nd4 tetrahedra,  a cornercorner with one O(1)SrNd3 tetrahedra,  a cornercorner with one O(5)SrNd3 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra,  an edgeedge with one O(1)SrNd3 tetrahedra,  an edgeedge with one O(2)SrNd3 tetrahedra, and  an edgeedge with one O(4)SrNd3 tetrahedra. In the third O site, O(3) is bonded to one Nd(1), one Nd(2), one Nd(3), and one Nd(4) atom to form ONd4 tetrahedra that share  a cornercorner with one O(6)Nd4 tetrahedra,  a cornercorner with one O(1)SrNd3 tetrahedra,  a cornercorner with one O(2)SrNd3 tetrahedra,  a cornercorner with one O(4)SrNd3 tetrahedra,  an edgeedge with one O(6)Nd4 tetrahedra,  an edgeedge with one O(1)SrNd3 tetrahedra,  an edgeedge with one O(2)SrNd3 tetrahedra, and  an edgeedge with one O(5)SrNd3 tetrahedra. In the fourth O site, O(4) is bonded to one Sr(1), one Nd(3), and two equivalent Nd(5) atoms to form OSrNd3 tetrahedra that share  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one O(6)Nd4 tetrahedra,  a cornercorner with one O(1)SrNd3 tetrahedra,  a cornercorner with one O(5)SrNd3 tetrahedra,  an edgeedge with one O(6)Nd4 tetrahedra,  an edgeedge with one O(2)SrNd3 tetrahedra,  an edgeedge with one O(4)SrNd3 tetrahedra, and  an edgeedge with one O(5)SrNd3 tetrahedra. In the fifth O site, O(5) is bonded to one Sr(1), one Nd(2), one Nd(4), and one Nd(5) atom to form OSrNd3 tetrahedra that share  a cornercorner with one O(6)Nd4 tetrahedra,  a cornercorner with one O(1)SrNd3 tetrahedra,  a cornercorner with one O(2)SrNd3 tetrahedra,  a cornercorner with one O(4)SrNd3 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra,  an edgeedge with one O(6)Nd4 tetrahedra,  an edgeedge with one O(1)SrNd3 tetrahedra, and  an edgeedge with one O(4)SrNd3 tetrahedra. In the sixth O site, O(6) is bonded to one Nd(3), one Nd(5), and two equivalent Nd(4) atoms to form ONd4 tetrahedra that share  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one O(2)SrNd3 tetrahedra,  a cornercorner with one O(4)SrNd3 tetrahedra,  a cornercorner with one O(5)SrNd3 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra,  an edgeedge with one O(6)Nd4 tetrahedra,  an edgeedge with one O(4)SrNd3 tetrahedra, and  an edgeedge with one O(5)SrNd3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrNd5Fe6(AsO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.179
_cell_length_b   10.194
_cell_length_c   11.607
_cell_angle_alpha   73.436
_cell_angle_beta   71.524
_cell_angle_gamma   68.786
_symmetry_Int_Tables_number   1
_cell_volume   942.236
_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
  Sr  Sr0  1  0.710  0.867  0.230  1.0
  Sr  Sr1  1  0.290  0.133  0.770  1.0
  Nd  Nd2  1  0.375  0.879  0.061  1.0
  Nd  Nd3  1  0.958  0.119  0.105  1.0
  Nd  Nd4  1  0.294  0.123  0.270  1.0
  Nd  Nd5  1  0.041  0.878  0.395  1.0
  Nd  Nd6  1  0.374  0.881  0.562  1.0
  Nd  Nd7  1  0.626  0.119  0.438  1.0
  Nd  Nd8  1  0.959  0.122  0.605  1.0
  Nd  Nd9  1  0.706  0.877  0.730  1.0
  Nd  Nd10  1  0.042  0.881  0.895  1.0
  Nd  Nd11  1  0.625  0.121  0.939  1.0
  Fe  Fe12  1  0.335  0.499  0.039  1.0
  Fe  Fe13  1  0.664  0.498  0.210  1.0
  Fe  Fe14  1  0.999  0.500  0.124  1.0
  Fe  Fe15  1  0.333  0.499  0.291  1.0
  Fe  Fe16  1  1.000  0.499  0.375  1.0
  Fe  Fe17  1  0.332  0.502  0.540  1.0
  Fe  Fe18  1  0.668  0.498  0.460  1.0
  Fe  Fe19  1  0.000  0.501  0.625  1.0
  Fe  Fe20  1  0.667  0.501  0.709  1.0
  Fe  Fe21  1  0.001  0.500  0.876  1.0
  Fe  Fe22  1  0.336  0.502  0.790  1.0
  Fe  Fe23  1  0.665  0.501  0.961  1.0
  As  As24  1  0.774  0.673  0.013  1.0
  As  As25  1  0.558  0.324  0.154  1.0
  As  As26  1  0.112  0.671  0.178  1.0
  As  As27  1  0.442  0.673  0.347  1.0
  As  As28  1  0.892  0.325  0.319  1.0
  As  As29  1  0.225  0.326  0.487  1.0
  As  As30  1  0.775  0.674  0.513  1.0
  As  As31  1  0.108  0.675  0.681  1.0
  As  As32  1  0.558  0.327  0.653  1.0
  As  As33  1  0.888  0.329  0.822  1.0
  As  As34  1  0.442  0.676  0.846  1.0
  As  As35  1  0.226  0.327  0.987  1.0
  O  O36  1  0.835  0.006  0.035  1.0
  O  O37  1  0.491  0.007  0.122  1.0
  O  O38  1  0.167  0.999  0.210  1.0
  O  O39  1  0.491  0.007  0.379  1.0
  O  O40  1  0.838  0.004  0.294  1.0
  O  O41  1  0.165  0.001  0.457  1.0
  O  O42  1  0.835  0.999  0.543  1.0
  O  O43  1  0.162  0.996  0.706  1.0
  O  O44  1  0.509  0.993  0.621  1.0
  O  O45  1  0.833  0.001  0.790  1.0
  O  O46  1  0.509  0.993  0.878  1.0
  O  O47  1  0.165  0.994  0.965  1.0
[/CIF]
.
The material structure described by SrNd5Fe6(AsO)6 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 4-coordinate geometry to one As(1), one As(3), one As(4), one As(6), one O(1), one O(2), one O(4), and one O(5) atom. There are five inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(3), one As(4), one O(1), one O(3), and two equivalent O(2) atoms. In the second Nd site, Nd(2) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(3), one As(5), one O(3), one O(5), and two equivalent O(1) atoms. In the third Nd site, Nd(3) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(5), one As(6), one O(2), one O(3), one O(4), and one O(6) atom. In the fourth Nd site, Nd(4) is bonded in a 4-coordinate geometry to one As(3), one As(4), one As(5), one As(6), one O(3), one O(5), and two equivalent O(6) atoms. In the fifth Nd site, Nd(5) is bonded in a 4-coordinate geometry to one As(2), one As(4), one As(5), one As(6), one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one As(1), one As(3), and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the second Fe site, Fe(2) is bonded to one As(1), one As(2), one As(4), and one As(5) atom to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the third Fe site, Fe(3) is bonded to one As(3), one As(5), and two equivalent As(1) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one As(2), one As(3), one As(4), and one As(6) atom to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the fifth Fe site, Fe(5) is bonded to one As(3), one As(5), and two equivalent As(6) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the sixth Fe site, Fe(6) is bonded to one As(5), one As(6), and two equivalent As(4) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. There are six inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to one Sr(1), one Nd(1), one Nd(2), one Nd(3), one Fe(1), one Fe(2), and two equivalent Fe(3) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to one Nd(1), one Nd(2), one Nd(3), one Nd(5), one Fe(2), one Fe(4), and two equivalent Fe(1) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to one Sr(1), one Nd(1), one Nd(2), one Nd(4), one Fe(1), one Fe(3), one Fe(4), and one Fe(5) atom. In the fourth As site, As(4) is bonded in a 8-coordinate geometry to one Sr(1), one Nd(1), one Nd(4), one Nd(5), one Fe(2), one Fe(4), and two equivalent Fe(6) atoms. In the fifth As site, As(5) is bonded in a 8-coordinate geometry to one Nd(2), one Nd(3), one Nd(4), one Nd(5), one Fe(2), one Fe(3), one Fe(5), and one Fe(6) atom. In the sixth As site, As(6) is bonded in a 8-coordinate geometry to one Sr(1), one Nd(3), one Nd(4), one Nd(5), one Fe(4), one Fe(6), and two equivalent Fe(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Nd(1), and two equivalent Nd(2) atoms to form OSrNd3 tetrahedra that share  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one O(2)SrNd3 tetrahedra,  a cornercorner with one O(4)SrNd3 tetrahedra,  a cornercorner with one O(5)SrNd3 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra,  an edgeedge with one O(1)SrNd3 tetrahedra,  an edgeedge with one O(2)SrNd3 tetrahedra, and  an edgeedge with one O(5)SrNd3 tetrahedra. In the second O site, O(2) is bonded to one Sr(1), one Nd(3), and two equivalent Nd(1) atoms to form OSrNd3 tetrahedra that share  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one O(6)Nd4 tetrahedra,  a cornercorner with one O(1)SrNd3 tetrahedra,  a cornercorner with one O(5)SrNd3 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra,  an edgeedge with one O(1)SrNd3 tetrahedra,  an edgeedge with one O(2)SrNd3 tetrahedra, and  an edgeedge with one O(4)SrNd3 tetrahedra. In the third O site, O(3) is bonded to one Nd(1), one Nd(2), one Nd(3), and one Nd(4) atom to form ONd4 tetrahedra that share  a cornercorner with one O(6)Nd4 tetrahedra,  a cornercorner with one O(1)SrNd3 tetrahedra,  a cornercorner with one O(2)SrNd3 tetrahedra,  a cornercorner with one O(4)SrNd3 tetrahedra,  an edgeedge with one O(6)Nd4 tetrahedra,  an edgeedge with one O(1)SrNd3 tetrahedra,  an edgeedge with one O(2)SrNd3 tetrahedra, and  an edgeedge with one O(5)SrNd3 tetrahedra. In the fourth O site, O(4) is bonded to one Sr(1), one Nd(3), and two equivalent Nd(5) atoms to form OSrNd3 tetrahedra that share  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one O(6)Nd4 tetrahedra,  a cornercorner with one O(1)SrNd3 tetrahedra,  a cornercorner with one O(5)SrNd3 tetrahedra,  an edgeedge with one O(6)Nd4 tetrahedra,  an edgeedge with one O(2)SrNd3 tetrahedra,  an edgeedge with one O(4)SrNd3 tetrahedra, and  an edgeedge with one O(5)SrNd3 tetrahedra. In the fifth O site, O(5) is bonded to one Sr(1), one Nd(2), one Nd(4), and one Nd(5) atom to form OSrNd3 tetrahedra that share  a cornercorner with one O(6)Nd4 tetrahedra,  a cornercorner with one O(1)SrNd3 tetrahedra,  a cornercorner with one O(2)SrNd3 tetrahedra,  a cornercorner with one O(4)SrNd3 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra,  an edgeedge with one O(6)Nd4 tetrahedra,  an edgeedge with one O(1)SrNd3 tetrahedra, and  an edgeedge with one O(4)SrNd3 tetrahedra. In the sixth O site, O(6) is bonded to one Nd(3), one Nd(5), and two equivalent Nd(4) atoms to form ONd4 tetrahedra that share  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one O(2)SrNd3 tetrahedra,  a cornercorner with one O(4)SrNd3 tetrahedra,  a cornercorner with one O(5)SrNd3 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra,  an edgeedge with one O(6)Nd4 tetrahedra,  an edgeedge with one O(4)SrNd3 tetrahedra, and  an edgeedge with one O(5)SrNd3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrNd5Fe6(AsO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.179
_cell_length_b   10.194
_cell_length_c   11.607
_cell_angle_alpha   73.436
_cell_angle_beta   71.524
_cell_angle_gamma   68.786
_symmetry_Int_Tables_number   1
_cell_volume   942.236
_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
  Sr  Sr0  1  0.710  0.867  0.230  1.0
  Sr  Sr1  1  0.290  0.133  0.770  1.0
  Nd  Nd2  1  0.375  0.879  0.061  1.0
  Nd  Nd3  1  0.958  0.119  0.105  1.0
  Nd  Nd4  1  0.294  0.123  0.270  1.0
  Nd  Nd5  1  0.041  0.878  0.395  1.0
  Nd  Nd6  1  0.374  0.881  0.562  1.0
  Nd  Nd7  1  0.626  0.119  0.438  1.0
  Nd  Nd8  1  0.959  0.122  0.605  1.0
  Nd  Nd9  1  0.706  0.877  0.730  1.0
  Nd  Nd10  1  0.042  0.881  0.895  1.0
  Nd  Nd11  1  0.625  0.121  0.939  1.0
  Fe  Fe12  1  0.335  0.499  0.039  1.0
  Fe  Fe13  1  0.664  0.498  0.210  1.0
  Fe  Fe14  1  0.999  0.500  0.124  1.0
  Fe  Fe15  1  0.333  0.499  0.291  1.0
  Fe  Fe16  1  1.000  0.499  0.375  1.0
  Fe  Fe17  1  0.332  0.502  0.540  1.0
  Fe  Fe18  1  0.668  0.498  0.460  1.0
  Fe  Fe19  1  0.000  0.501  0.625  1.0
  Fe  Fe20  1  0.667  0.501  0.709  1.0
  Fe  Fe21  1  0.001  0.500  0.876  1.0
  Fe  Fe22  1  0.336  0.502  0.790  1.0
  Fe  Fe23  1  0.665  0.501  0.961  1.0
  As  As24  1  0.774  0.673  0.013  1.0
  As  As25  1  0.558  0.324  0.154  1.0
  As  As26  1  0.112  0.671  0.178  1.0
  As  As27  1  0.442  0.673  0.347  1.0
  As  As28  1  0.892  0.325  0.319  1.0
  As  As29  1  0.225  0.326  0.487  1.0
  As  As30  1  0.775  0.674  0.513  1.0
  As  As31  1  0.108  0.675  0.681  1.0
  As  As32  1  0.558  0.327  0.653  1.0
  As  As33  1  0.888  0.329  0.822  1.0
  As  As34  1  0.442  0.676  0.846  1.0
  As  As35  1  0.226  0.327  0.987  1.0
  O  O36  1  0.835  0.006  0.035  1.0
  O  O37  1  0.491  0.007  0.122  1.0
  O  O38  1  0.167  0.999  0.210  1.0
  O  O39  1  0.491  0.007  0.379  1.0
  O  O40  1  0.838  0.004  0.294  1.0
  O  O41  1  0.165  0.001  0.457  1.0
  O  O42  1  0.835  0.999  0.543  1.0
  O  O43  1  0.162  0.996  0.706  1.0
  O  O44  1  0.509  0.993  0.621  1.0
  O  O45  1  0.833  0.001  0.790  1.0
  O  O46  1  0.509  0.993  0.878  1.0
  O  O47  1  0.165  0.994  0.965  1.0
[/CIF]
.