The material structure described by NaHoP2O7 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(6), and two equivalent O(7) atoms. Ho(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form HoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Ho(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-52°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Ho(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-57°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted linear geometry to one Ho(1) and one P(2) atom. In the second O site, O(6) is bonded to two equivalent Na(1), one Ho(1), and one P(2) atom to form distorted corner-sharing ONa2HoP trigonal pyramids. In the third O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Ho(1), and one P(2) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Ho(1) and one P(1) atom. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Ho(1), and one P(1) atom. In the sixth O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1), one Ho(1), and one P(1) atom. In the seventh O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaHoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.352
_cell_length_b   8.614
_cell_length_c   13.927
_cell_angle_alpha   69.771
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   602.540
_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
  Na  Na0  1  0.223  0.947  0.334  1.0
  Na  Na1  1  0.277  0.947  0.834  1.0
  Na  Na2  1  0.777  0.053  0.666  1.0
  Na  Na3  1  0.723  0.053  0.166  1.0
  Ho  Ho4  1  0.734  0.247  0.853  1.0
  Ho  Ho5  1  0.766  0.247  0.353  1.0
  Ho  Ho6  1  0.266  0.753  0.147  1.0
  Ho  Ho7  1  0.234  0.753  0.647  1.0
  P  P8  1  0.215  0.189  0.022  1.0
  P  P9  1  0.285  0.189  0.522  1.0
  P  P10  1  0.785  0.811  0.978  1.0
  P  P11  1  0.715  0.811  0.478  1.0
  P  P12  1  0.245  0.314  0.187  1.0
  P  P13  1  0.255  0.314  0.687  1.0
  P  P14  1  0.755  0.686  0.813  1.0
  P  P15  1  0.745  0.686  0.313  1.0
  O  O16  1  0.363  0.236  0.925  1.0
  O  O17  1  0.137  0.236  0.425  1.0
  O  O18  1  0.637  0.764  0.075  1.0
  O  O19  1  0.863  0.764  0.575  1.0
  O  O20  1  0.302  0.030  0.104  1.0
  O  O21  1  0.198  0.030  0.604  1.0
  O  O22  1  0.698  0.970  0.896  1.0
  O  O23  1  0.802  0.970  0.396  1.0
  O  O24  1  0.935  0.187  0.003  1.0
  O  O25  1  0.565  0.187  0.503  1.0
  O  O26  1  0.065  0.813  0.997  1.0
  O  O27  1  0.435  0.813  0.497  1.0
  O  O28  1  0.271  0.332  0.069  1.0
  O  O29  1  0.229  0.332  0.569  1.0
  O  O30  1  0.729  0.668  0.931  1.0
  O  O31  1  0.771  0.668  0.431  1.0
  O  O32  1  0.233  0.488  0.188  1.0
  O  O33  1  0.267  0.488  0.688  1.0
  O  O34  1  0.767  0.512  0.812  1.0
  O  O35  1  0.733  0.512  0.312  1.0
  O  O36  1  0.007  0.216  0.226  1.0
  O  O37  1  0.493  0.216  0.726  1.0
  O  O38  1  0.993  0.784  0.774  1.0
  O  O39  1  0.507  0.784  0.274  1.0
  O  O40  1  0.470  0.217  0.244  1.0
  O  O41  1  0.030  0.217  0.744  1.0
  O  O42  1  0.530  0.783  0.756  1.0
  O  O43  1  0.970  0.783  0.256  1.0
[/CIF]
.
The material structure described by NaHoP2O7 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(6), and two equivalent O(7) atoms. Ho(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form HoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Ho(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-52°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Ho(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-57°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted linear geometry to one Ho(1) and one P(2) atom. In the second O site, O(6) is bonded to two equivalent Na(1), one Ho(1), and one P(2) atom to form distorted corner-sharing ONa2HoP trigonal pyramids. In the third O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Ho(1), and one P(2) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Ho(1) and one P(1) atom. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Ho(1), and one P(1) atom. In the sixth O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1), one Ho(1), and one P(1) atom. In the seventh O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaHoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.352
_cell_length_b   8.614
_cell_length_c   13.927
_cell_angle_alpha   69.771
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   602.540
_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
  Na  Na0  1  0.223  0.947  0.334  1.0
  Na  Na1  1  0.277  0.947  0.834  1.0
  Na  Na2  1  0.777  0.053  0.666  1.0
  Na  Na3  1  0.723  0.053  0.166  1.0
  Ho  Ho4  1  0.734  0.247  0.853  1.0
  Ho  Ho5  1  0.766  0.247  0.353  1.0
  Ho  Ho6  1  0.266  0.753  0.147  1.0
  Ho  Ho7  1  0.234  0.753  0.647  1.0
  P  P8  1  0.215  0.189  0.022  1.0
  P  P9  1  0.285  0.189  0.522  1.0
  P  P10  1  0.785  0.811  0.978  1.0
  P  P11  1  0.715  0.811  0.478  1.0
  P  P12  1  0.245  0.314  0.187  1.0
  P  P13  1  0.255  0.314  0.687  1.0
  P  P14  1  0.755  0.686  0.813  1.0
  P  P15  1  0.745  0.686  0.313  1.0
  O  O16  1  0.363  0.236  0.925  1.0
  O  O17  1  0.137  0.236  0.425  1.0
  O  O18  1  0.637  0.764  0.075  1.0
  O  O19  1  0.863  0.764  0.575  1.0
  O  O20  1  0.302  0.030  0.104  1.0
  O  O21  1  0.198  0.030  0.604  1.0
  O  O22  1  0.698  0.970  0.896  1.0
  O  O23  1  0.802  0.970  0.396  1.0
  O  O24  1  0.935  0.187  0.003  1.0
  O  O25  1  0.565  0.187  0.503  1.0
  O  O26  1  0.065  0.813  0.997  1.0
  O  O27  1  0.435  0.813  0.497  1.0
  O  O28  1  0.271  0.332  0.069  1.0
  O  O29  1  0.229  0.332  0.569  1.0
  O  O30  1  0.729  0.668  0.931  1.0
  O  O31  1  0.771  0.668  0.431  1.0
  O  O32  1  0.233  0.488  0.188  1.0
  O  O33  1  0.267  0.488  0.688  1.0
  O  O34  1  0.767  0.512  0.812  1.0
  O  O35  1  0.733  0.512  0.312  1.0
  O  O36  1  0.007  0.216  0.226  1.0
  O  O37  1  0.493  0.216  0.726  1.0
  O  O38  1  0.993  0.784  0.774  1.0
  O  O39  1  0.507  0.784  0.274  1.0
  O  O40  1  0.470  0.217  0.244  1.0
  O  O41  1  0.030  0.217  0.744  1.0
  O  O42  1  0.530  0.783  0.756  1.0
  O  O43  1  0.970  0.783  0.256  1.0
[/CIF]
.