The compound described by LiYP4O12 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. Y(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form corner-sharing PO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Y(1) and one P(1) atom. In the second O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one P(2) atom. In the third O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Y(1), and one P(2) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Y(1), and one P(1) atom. In the sixth 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_LiY(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.969
_cell_length_b   8.969
_cell_length_c   9.691
_cell_angle_alpha   57.267
_cell_angle_beta   57.267
_cell_angle_gamma   46.858
_symmetry_Int_Tables_number   1
_cell_volume   459.500
_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
  Li  Li0  1  0.206  0.794  0.250  1.0
  Li  Li1  1  0.794  0.206  0.750  1.0
  Y  Y2  1  0.703  0.297  0.250  1.0
  Y  Y3  1  0.297  0.703  0.750  1.0
  P  P4  1  0.203  0.505  0.598  1.0
  P  P5  1  0.914  0.811  0.159  1.0
  P  P6  1  0.086  0.189  0.841  1.0
  P  P7  1  0.797  0.495  0.402  1.0
  P  P8  1  0.189  0.086  0.341  1.0
  P  P9  1  0.505  0.203  0.098  1.0
  P  P10  1  0.495  0.797  0.902  1.0
  P  P11  1  0.811  0.914  0.659  1.0
  O  O12  1  0.931  0.937  0.704  1.0
  O  O13  1  0.676  0.834  0.840  1.0
  O  O14  1  0.487  0.656  0.083  1.0
  O  O15  1  0.166  0.324  0.660  1.0
  O  O16  1  0.513  0.344  0.917  1.0
  O  O17  1  0.069  0.063  0.296  1.0
  O  O18  1  0.717  0.970  0.080  1.0
  O  O19  1  0.063  0.069  0.796  1.0
  O  O20  1  0.743  0.510  0.272  1.0
  O  O21  1  0.490  0.257  0.228  1.0
  O  O22  1  0.101  0.675  0.041  1.0
  O  O23  1  0.283  0.030  0.920  1.0
  O  O24  1  0.325  0.899  0.459  1.0
  O  O25  1  0.970  0.717  0.580  1.0
  O  O26  1  0.510  0.743  0.772  1.0
  O  O27  1  0.324  0.166  0.160  1.0
  O  O28  1  0.937  0.931  0.204  1.0
  O  O29  1  0.030  0.283  0.420  1.0
  O  O30  1  0.344  0.513  0.417  1.0
  O  O31  1  0.675  0.101  0.541  1.0
  O  O32  1  0.257  0.490  0.728  1.0
  O  O33  1  0.899  0.325  0.959  1.0
  O  O34  1  0.834  0.676  0.340  1.0
  O  O35  1  0.656  0.487  0.583  1.0
[/CIF]
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The compound described by LiYP4O12 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. Y(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form corner-sharing PO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Y(1) and one P(1) atom. In the second O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one P(2) atom. In the third O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Y(1), and one P(2) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Y(1), and one P(1) atom. In the sixth 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_LiY(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.969
_cell_length_b   8.969
_cell_length_c   9.691
_cell_angle_alpha   57.267
_cell_angle_beta   57.267
_cell_angle_gamma   46.858
_symmetry_Int_Tables_number   1
_cell_volume   459.500
_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
  Li  Li0  1  0.206  0.794  0.250  1.0
  Li  Li1  1  0.794  0.206  0.750  1.0
  Y  Y2  1  0.703  0.297  0.250  1.0
  Y  Y3  1  0.297  0.703  0.750  1.0
  P  P4  1  0.203  0.505  0.598  1.0
  P  P5  1  0.914  0.811  0.159  1.0
  P  P6  1  0.086  0.189  0.841  1.0
  P  P7  1  0.797  0.495  0.402  1.0
  P  P8  1  0.189  0.086  0.341  1.0
  P  P9  1  0.505  0.203  0.098  1.0
  P  P10  1  0.495  0.797  0.902  1.0
  P  P11  1  0.811  0.914  0.659  1.0
  O  O12  1  0.931  0.937  0.704  1.0
  O  O13  1  0.676  0.834  0.840  1.0
  O  O14  1  0.487  0.656  0.083  1.0
  O  O15  1  0.166  0.324  0.660  1.0
  O  O16  1  0.513  0.344  0.917  1.0
  O  O17  1  0.069  0.063  0.296  1.0
  O  O18  1  0.717  0.970  0.080  1.0
  O  O19  1  0.063  0.069  0.796  1.0
  O  O20  1  0.743  0.510  0.272  1.0
  O  O21  1  0.490  0.257  0.228  1.0
  O  O22  1  0.101  0.675  0.041  1.0
  O  O23  1  0.283  0.030  0.920  1.0
  O  O24  1  0.325  0.899  0.459  1.0
  O  O25  1  0.970  0.717  0.580  1.0
  O  O26  1  0.510  0.743  0.772  1.0
  O  O27  1  0.324  0.166  0.160  1.0
  O  O28  1  0.937  0.931  0.204  1.0
  O  O29  1  0.030  0.283  0.420  1.0
  O  O30  1  0.344  0.513  0.417  1.0
  O  O31  1  0.675  0.101  0.541  1.0
  O  O32  1  0.257  0.490  0.728  1.0
  O  O33  1  0.899  0.325  0.959  1.0
  O  O34  1  0.834  0.676  0.340  1.0
  O  O35  1  0.656  0.487  0.583  1.0
[/CIF]
.