The material structure described by Li3ZnCPO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Zn(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. 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 bent 120 degrees geometry to one Li(1), one Zn(1), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and one C(1) atom to form a mixture of edge and corner-sharing OLi3C tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Li(2), one Zn(1), and one C(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Zn(1), and one P(1) atom to form distorted OLi2ZnP trigonal pyramids that share corners with two equivalent O(2)Li3C tetrahedra, corners with three equivalent O(5)Li2ZnP tetrahedra,  a cornercorner with one O(4)Li2ZnP trigonal pyramid,  a cornercorner with one O(6)Li2ZnP trigonal pyramid,  an edgeedge with one O(4)Li2ZnP trigonal pyramid, and  an edgeedge with one O(6)Li2ZnP trigonal pyramid. In the fifth O site, O(5) is bonded to two equivalent Li(2), one Zn(1), and one P(1) atom to form OLi2ZnP tetrahedra that share corners with four equivalent O(6)Li2ZnP trigonal pyramids, corners with six equivalent O(4)Li2ZnP trigonal pyramids, and  an edgeedge with one O(2)Li3C tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Li(2), one Zn(1), and one P(1) atom to form distorted OLi2ZnP trigonal pyramids that share corners with two equivalent O(2)Li3C tetrahedra, corners with four equivalent O(5)Li2ZnP tetrahedra, corners with two equivalent O(4)Li2ZnP trigonal pyramids, and edges with two equivalent O(4)Li2ZnP trigonal pyramids. is represented by the CIF file [CIF]
data_Li3ZnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.451
_cell_length_b   4.931
_cell_length_c   8.474
_cell_angle_alpha   87.647
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   269.347
_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  0.750  0.256  0.913  1.0
  Li  Li1  1  0.983  0.769  0.736  1.0
  Li  Li2  1  0.517  0.769  0.736  1.0
  Li  Li3  1  0.483  0.231  0.264  1.0
  Li  Li4  1  0.017  0.231  0.264  1.0
  Li  Li5  1  0.250  0.744  0.087  1.0
  Zn  Zn6  1  0.250  0.225  0.646  1.0
  Zn  Zn7  1  0.750  0.775  0.354  1.0
  P  P8  1  0.750  0.287  0.590  1.0
  P  P9  1  0.250  0.713  0.410  1.0
  C  C10  1  0.250  0.271  0.958  1.0
  C  C11  1  0.750  0.729  0.042  1.0
  O  O12  1  0.250  0.021  0.918  1.0
  O  O13  1  0.750  0.666  0.894  1.0
  O  O14  1  0.250  0.466  0.850  1.0
  O  O15  1  0.938  0.184  0.689  1.0
  O  O16  1  0.562  0.184  0.689  1.0
  O  O17  1  0.750  0.605  0.577  1.0
  O  O18  1  0.250  0.814  0.582  1.0
  O  O19  1  0.750  0.186  0.418  1.0
  O  O20  1  0.250  0.395  0.423  1.0
  O  O21  1  0.438  0.816  0.311  1.0
  O  O22  1  0.062  0.816  0.311  1.0
  O  O23  1  0.750  0.534  0.150  1.0
  O  O24  1  0.250  0.334  0.106  1.0
  O  O25  1  0.750  0.979  0.082  1.0
[/CIF]
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The material structure described by Li3ZnCPO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Zn(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. 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 bent 120 degrees geometry to one Li(1), one Zn(1), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and one C(1) atom to form a mixture of edge and corner-sharing OLi3C tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Li(2), one Zn(1), and one C(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Zn(1), and one P(1) atom to form distorted OLi2ZnP trigonal pyramids that share corners with two equivalent O(2)Li3C tetrahedra, corners with three equivalent O(5)Li2ZnP tetrahedra,  a cornercorner with one O(4)Li2ZnP trigonal pyramid,  a cornercorner with one O(6)Li2ZnP trigonal pyramid,  an edgeedge with one O(4)Li2ZnP trigonal pyramid, and  an edgeedge with one O(6)Li2ZnP trigonal pyramid. In the fifth O site, O(5) is bonded to two equivalent Li(2), one Zn(1), and one P(1) atom to form OLi2ZnP tetrahedra that share corners with four equivalent O(6)Li2ZnP trigonal pyramids, corners with six equivalent O(4)Li2ZnP trigonal pyramids, and  an edgeedge with one O(2)Li3C tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Li(2), one Zn(1), and one P(1) atom to form distorted OLi2ZnP trigonal pyramids that share corners with two equivalent O(2)Li3C tetrahedra, corners with four equivalent O(5)Li2ZnP tetrahedra, corners with two equivalent O(4)Li2ZnP trigonal pyramids, and edges with two equivalent O(4)Li2ZnP trigonal pyramids. is represented by the CIF file [CIF]
data_Li3ZnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.451
_cell_length_b   4.931
_cell_length_c   8.474
_cell_angle_alpha   87.647
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   269.347
_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  0.750  0.256  0.913  1.0
  Li  Li1  1  0.983  0.769  0.736  1.0
  Li  Li2  1  0.517  0.769  0.736  1.0
  Li  Li3  1  0.483  0.231  0.264  1.0
  Li  Li4  1  0.017  0.231  0.264  1.0
  Li  Li5  1  0.250  0.744  0.087  1.0
  Zn  Zn6  1  0.250  0.225  0.646  1.0
  Zn  Zn7  1  0.750  0.775  0.354  1.0
  P  P8  1  0.750  0.287  0.590  1.0
  P  P9  1  0.250  0.713  0.410  1.0
  C  C10  1  0.250  0.271  0.958  1.0
  C  C11  1  0.750  0.729  0.042  1.0
  O  O12  1  0.250  0.021  0.918  1.0
  O  O13  1  0.750  0.666  0.894  1.0
  O  O14  1  0.250  0.466  0.850  1.0
  O  O15  1  0.938  0.184  0.689  1.0
  O  O16  1  0.562  0.184  0.689  1.0
  O  O17  1  0.750  0.605  0.577  1.0
  O  O18  1  0.250  0.814  0.582  1.0
  O  O19  1  0.750  0.186  0.418  1.0
  O  O20  1  0.250  0.395  0.423  1.0
  O  O21  1  0.438  0.816  0.311  1.0
  O  O22  1  0.062  0.816  0.311  1.0
  O  O23  1  0.750  0.534  0.150  1.0
  O  O24  1  0.250  0.334  0.106  1.0
  O  O25  1  0.750  0.979  0.082  1.0
[/CIF]
.