The compound described by Li2CAsPO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. As(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to two equivalent Li(1), one C(1), and one As(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Li(1), one C(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one As(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Li(1), one As(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Li2AsPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.542
_cell_length_b   5.097
_cell_length_c   8.943
_cell_angle_alpha   86.071
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.527
_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  0.458  0.240  0.768  1.0
  Li  Li1  1  0.042  0.240  0.768  1.0
  Li  Li2  1  0.542  0.760  0.232  1.0
  Li  Li3  1  0.958  0.760  0.232  1.0
  As  As4  1  0.750  0.820  0.647  1.0
  As  As5  1  0.250  0.180  0.353  1.0
  P  P6  1  0.250  0.746  0.604  1.0
  P  P7  1  0.750  0.254  0.396  1.0
  C  C8  1  0.750  0.725  0.930  1.0
  C  C9  1  0.250  0.275  0.070  1.0
  O  O10  1  0.250  0.258  0.931  1.0
  O  O11  1  0.750  0.953  0.839  1.0
  O  O12  1  0.750  0.514  0.859  1.0
  O  O13  1  0.063  0.885  0.672  1.0
  O  O14  1  0.437  0.885  0.672  1.0
  O  O15  1  0.750  0.190  0.573  1.0
  O  O16  1  0.250  0.449  0.635  1.0
  O  O17  1  0.750  0.551  0.365  1.0
  O  O18  1  0.250  0.810  0.427  1.0
  O  O19  1  0.563  0.115  0.328  1.0
  O  O20  1  0.937  0.115  0.328  1.0
  O  O21  1  0.250  0.486  0.141  1.0
  O  O22  1  0.250  0.047  0.161  1.0
  O  O23  1  0.750  0.742  0.069  1.0
[/CIF]
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The compound described by Li2CAsPO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. As(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to two equivalent Li(1), one C(1), and one As(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Li(1), one C(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one As(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Li(1), one As(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Li2AsPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.542
_cell_length_b   5.097
_cell_length_c   8.943
_cell_angle_alpha   86.071
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.527
_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  0.458  0.240  0.768  1.0
  Li  Li1  1  0.042  0.240  0.768  1.0
  Li  Li2  1  0.542  0.760  0.232  1.0
  Li  Li3  1  0.958  0.760  0.232  1.0
  As  As4  1  0.750  0.820  0.647  1.0
  As  As5  1  0.250  0.180  0.353  1.0
  P  P6  1  0.250  0.746  0.604  1.0
  P  P7  1  0.750  0.254  0.396  1.0
  C  C8  1  0.750  0.725  0.930  1.0
  C  C9  1  0.250  0.275  0.070  1.0
  O  O10  1  0.250  0.258  0.931  1.0
  O  O11  1  0.750  0.953  0.839  1.0
  O  O12  1  0.750  0.514  0.859  1.0
  O  O13  1  0.063  0.885  0.672  1.0
  O  O14  1  0.437  0.885  0.672  1.0
  O  O15  1  0.750  0.190  0.573  1.0
  O  O16  1  0.250  0.449  0.635  1.0
  O  O17  1  0.750  0.551  0.365  1.0
  O  O18  1  0.250  0.810  0.427  1.0
  O  O19  1  0.563  0.115  0.328  1.0
  O  O20  1  0.937  0.115  0.328  1.0
  O  O21  1  0.250  0.486  0.141  1.0
  O  O22  1  0.250  0.047  0.161  1.0
  O  O23  1  0.750  0.742  0.069  1.0
[/CIF]
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