The compound described by LiY3(PO4)3 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(5) and two equivalent O(6) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(6) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one P(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Y(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(1), one Y(1), one Y(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Li(1), one Y(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiY3(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.478
_cell_length_b   7.032
_cell_length_c   6.903
_cell_angle_alpha   120.619
_cell_angle_beta   89.860
_cell_angle_gamma   90.274
_symmetry_Int_Tables_number   1
_cell_volume   270.631
_cell_formula_units_Z   1
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  0.167  0.302  0.604  1.0
  Y  Y1  1  0.404  0.940  0.529  1.0
  Y  Y2  1  0.667  0.501  0.003  1.0
  Y  Y3  1  0.930  0.590  0.529  1.0
  P  P4  1  0.850  0.037  0.491  1.0
  P  P5  1  0.167  0.508  0.016  1.0
  P  P6  1  0.483  0.454  0.491  1.0
  O  O7  1  0.712  0.857  0.300  1.0
  O  O8  1  0.003  0.467  0.155  1.0
  O  O9  1  0.300  0.617  0.543  1.0
  O  O10  1  0.708  0.151  0.704  1.0
  O  O11  1  0.031  0.562  0.862  1.0
  O  O12  1  0.402  0.225  0.429  1.0
  O  O13  1  0.626  0.553  0.704  1.0
  O  O14  1  0.302  0.300  0.862  1.0
  O  O15  1  0.932  0.203  0.429  1.0
  O  O16  1  0.622  0.443  0.300  1.0
  O  O17  1  0.330  0.688  0.155  1.0
  O  O18  1  0.033  0.925  0.543  1.0
[/CIF]
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The compound described by LiY3(PO4)3 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(5) and two equivalent O(6) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(6) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one P(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Y(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(1), one Y(1), one Y(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Li(1), one Y(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiY3(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.478
_cell_length_b   7.032
_cell_length_c   6.903
_cell_angle_alpha   120.619
_cell_angle_beta   89.860
_cell_angle_gamma   90.274
_symmetry_Int_Tables_number   1
_cell_volume   270.631
_cell_formula_units_Z   1
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  0.167  0.302  0.604  1.0
  Y  Y1  1  0.404  0.940  0.529  1.0
  Y  Y2  1  0.667  0.501  0.003  1.0
  Y  Y3  1  0.930  0.590  0.529  1.0
  P  P4  1  0.850  0.037  0.491  1.0
  P  P5  1  0.167  0.508  0.016  1.0
  P  P6  1  0.483  0.454  0.491  1.0
  O  O7  1  0.712  0.857  0.300  1.0
  O  O8  1  0.003  0.467  0.155  1.0
  O  O9  1  0.300  0.617  0.543  1.0
  O  O10  1  0.708  0.151  0.704  1.0
  O  O11  1  0.031  0.562  0.862  1.0
  O  O12  1  0.402  0.225  0.429  1.0
  O  O13  1  0.626  0.553  0.704  1.0
  O  O14  1  0.302  0.300  0.862  1.0
  O  O15  1  0.932  0.203  0.429  1.0
  O  O16  1  0.622  0.443  0.300  1.0
  O  O17  1  0.330  0.688  0.155  1.0
  O  O18  1  0.033  0.925  0.543  1.0
[/CIF]
.