The material described by Sc2P3(HO3)3 crystallizes in the hexagonal P6_3/m space group. Sc(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ScO6 octahedra that share corners with six equivalent P(1)HO3 tetrahedra and  a faceface with one Sc(1)O6 octahedra. P(1) is bonded to one H(1), one O(2), and two equivalent O(1) atoms to form distorted PHO3 tetrahedra that share corners with four equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-47°. H(1) is bonded in a single-bond geometry to one P(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Sc(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Sc2P3(HO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.435
_cell_length_b   8.435
_cell_length_c   7.805
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   480.967
_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
  Sc  Sc0  1  0.333  0.667  0.454  1.0
  Sc  Sc1  1  0.667  0.333  0.954  1.0
  Sc  Sc2  1  0.667  0.333  0.546  1.0
  Sc  Sc3  1  0.333  0.667  0.046  1.0
  P  P4  1  0.645  0.957  0.750  1.0
  P  P5  1  0.688  0.645  0.250  1.0
  P  P6  1  0.957  0.312  0.250  1.0
  P  P7  1  0.043  0.688  0.750  1.0
  P  P8  1  0.312  0.355  0.750  1.0
  P  P9  1  0.355  0.043  0.250  1.0
  H  H10  1  0.831  0.005  0.750  1.0
  H  H11  1  0.995  0.826  0.750  1.0
  H  H12  1  0.169  0.995  0.250  1.0
  H  H13  1  0.826  0.831  0.250  1.0
  H  H14  1  0.174  0.169  0.750  1.0
  H  H15  1  0.005  0.174  0.250  1.0
  O  O16  1  0.440  0.152  0.414  1.0
  O  O17  1  0.288  0.440  0.914  1.0
  O  O18  1  0.152  0.712  0.914  1.0
  O  O19  1  0.848  0.288  0.414  1.0
  O  O20  1  0.139  0.498  0.250  1.0
  O  O21  1  0.861  0.502  0.750  1.0
  O  O22  1  0.641  0.139  0.750  1.0
  O  O23  1  0.498  0.359  0.750  1.0
  O  O24  1  0.502  0.641  0.250  1.0
  O  O25  1  0.359  0.861  0.250  1.0
  O  O26  1  0.440  0.152  0.086  1.0
  O  O27  1  0.288  0.440  0.586  1.0
  O  O28  1  0.152  0.712  0.586  1.0
  O  O29  1  0.848  0.288  0.086  1.0
  O  O30  1  0.712  0.560  0.086  1.0
  O  O31  1  0.560  0.848  0.586  1.0
  O  O32  1  0.560  0.848  0.914  1.0
  O  O33  1  0.712  0.560  0.414  1.0
[/CIF]
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The material described by Sc2P3(HO3)3 crystallizes in the hexagonal P6_3/m space group. Sc(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ScO6 octahedra that share corners with six equivalent P(1)HO3 tetrahedra and  a faceface with one Sc(1)O6 octahedra. P(1) is bonded to one H(1), one O(2), and two equivalent O(1) atoms to form distorted PHO3 tetrahedra that share corners with four equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-47°. H(1) is bonded in a single-bond geometry to one P(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Sc(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Sc2P3(HO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.435
_cell_length_b   8.435
_cell_length_c   7.805
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   480.967
_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
  Sc  Sc0  1  0.333  0.667  0.454  1.0
  Sc  Sc1  1  0.667  0.333  0.954  1.0
  Sc  Sc2  1  0.667  0.333  0.546  1.0
  Sc  Sc3  1  0.333  0.667  0.046  1.0
  P  P4  1  0.645  0.957  0.750  1.0
  P  P5  1  0.688  0.645  0.250  1.0
  P  P6  1  0.957  0.312  0.250  1.0
  P  P7  1  0.043  0.688  0.750  1.0
  P  P8  1  0.312  0.355  0.750  1.0
  P  P9  1  0.355  0.043  0.250  1.0
  H  H10  1  0.831  0.005  0.750  1.0
  H  H11  1  0.995  0.826  0.750  1.0
  H  H12  1  0.169  0.995  0.250  1.0
  H  H13  1  0.826  0.831  0.250  1.0
  H  H14  1  0.174  0.169  0.750  1.0
  H  H15  1  0.005  0.174  0.250  1.0
  O  O16  1  0.440  0.152  0.414  1.0
  O  O17  1  0.288  0.440  0.914  1.0
  O  O18  1  0.152  0.712  0.914  1.0
  O  O19  1  0.848  0.288  0.414  1.0
  O  O20  1  0.139  0.498  0.250  1.0
  O  O21  1  0.861  0.502  0.750  1.0
  O  O22  1  0.641  0.139  0.750  1.0
  O  O23  1  0.498  0.359  0.750  1.0
  O  O24  1  0.502  0.641  0.250  1.0
  O  O25  1  0.359  0.861  0.250  1.0
  O  O26  1  0.440  0.152  0.086  1.0
  O  O27  1  0.288  0.440  0.586  1.0
  O  O28  1  0.152  0.712  0.586  1.0
  O  O29  1  0.848  0.288  0.086  1.0
  O  O30  1  0.712  0.560  0.086  1.0
  O  O31  1  0.560  0.848  0.586  1.0
  O  O32  1  0.560  0.848  0.914  1.0
  O  O33  1  0.712  0.560  0.414  1.0
[/CIF]
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