The crystal structure described by Li3CrCPO7 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(28), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(10), one O(26), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(12), one O(2), and one O(4) atom. In the fourth Li site, Li(4) is bonded to one O(13), one O(14), one O(5), one O(6), and one O(7) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and edges with two equivalent Li(5)O5 trigonal bipyramids. In the fifth Li site, Li(5) is bonded to one O(13), one O(14), one O(5), one O(6), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(17), one O(6), and one O(9) atom. In the seventh Li site, Li(7) is bonded to one O(15), one O(16), one O(21), one O(23), and one O(24) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and edges with two equivalent Li(8)O5 trigonal bipyramids. In the eighth Li site, Li(8) is bonded to one O(15), one O(16), one O(22), one O(23), and one O(24) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and edges with two equivalent Li(7)O5 trigonal bipyramids. In the ninth Li site, Li(9) is bonded to one O(17), one O(18), one O(20), one O(25), and one O(27) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and edges with two equivalent Li(10)O5 trigonal bipyramids. In the tenth Li site, Li(10) is bonded to one O(17), one O(18), one O(19), one O(25), and one O(27) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and edges with two equivalent Li(9)O5 trigonal bipyramids. In the eleventh Li site, Li(11) is bonded in a 4-coordinate geometry to one O(19), one O(20), one O(24), and one O(3) atom. In the twelfth Li site, Li(12) is bonded in a 4-coordinate geometry to one O(1), one O(21), one O(22), and one O(27) atom. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), and one O(9) atom. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one O(1), one O(13), one O(15), one O(4), one O(7), and one O(8) atom. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to one O(12), one O(18), one O(19), one O(20), one O(23), and one O(26) atom. In the fourth Cr site, Cr(4) is bonded in a 6-coordinate geometry to one O(14), one O(16), one O(21), one O(22), one O(25), and one O(28) atom. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(24), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(27), one O(3), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(2), one O(23), and one O(26) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(25), one O(28), and one O(5) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(16), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  a cornercorner with one Li(8)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(10), one O(14), one O(18), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(10)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  a cornercorner with one Li(9)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(11), one O(15), one O(19), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Li(10)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid,  a cornercorner with one Li(8)O5 trigonal bipyramid, and  a cornercorner with one Li(9)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(13), one O(17), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Li(10)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid,  a cornercorner with one Li(8)O5 trigonal bipyramid, and  a cornercorner with one Li(9)O5 trigonal bipyramid. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(12), one Cr(2), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Cr(1), and one C(3) atom to form distorted OLi2CrC tetrahedra that share  a cornercorner with one O(10)Li3P tetrahedra,  a cornercorner with one O(7)Li2CrP trigonal pyramid, and  a cornercorner with one O(8)Li2CrP trigonal pyramid. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(11), one Cr(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(3), one Cr(1), one Cr(2), and one C(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Li(5), and one C(4) atom to form distorted OLi3C tetrahedra that share  a cornercorner with one O(10)Li3P tetrahedra,  a cornercorner with one O(7)Li2CrP trigonal pyramid,  a cornercorner with one O(8)Li2CrP trigonal pyramid, corners with two equivalent O(13)Li2CrP trigonal pyramids, and  an edgeedge with one O(14)Li2CrP tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Li(6), and one C(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Cr(2), and one P(1) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(2)Li2CrC tetrahedra,  a cornercorner with one O(14)Li2CrP tetrahedra,  a cornercorner with one O(15)Li2CrP tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(16)Li2CrP trigonal pyramid,  a cornercorner with one O(8)Li2CrP trigonal pyramid,  an edgeedge with one O(13)Li2CrP trigonal pyramid, and  an edgeedge with one O(8)Li2CrP trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(5), one Cr(2), and one P(1) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(2)Li2CrC tetrahedra,  a cornercorner with one O(14)Li2CrP tetrahedra,  a cornercorner with one O(15)Li2CrP tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(16)Li2CrP trigonal pyramid,  a cornercorner with one O(7)Li2CrP trigonal pyramid,  an edgeedge with one O(13)Li2CrP trigonal pyramid, and  an edgeedge with one O(7)Li2CrP trigonal pyramid. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(2), one Li(6), one Cr(1), and one P(2) atom. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Li(6), and one P(2) atom to form distorted OLi3P tetrahedra that share  a cornercorner with one O(2)Li2CrC tetrahedra,  a cornercorner with one O(14)Li2CrP tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(17)Li3P tetrahedra, and  a cornercorner with one O(18)Li2CrP trigonal pyramid. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(3), one Li(6), one Cr(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(3), one Cr(1), one Cr(3), and one P(1) atom. In the thirteenth O site, O(13) is bonded to one Li(4), one Li(5), one Cr(2), and one P(4) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(15)Li2CrP tetrahedra,  a cornercorner with one O(17)Li3P tetrahedra, corners with two equivalent O(14)Li2CrP tetrahedra, corners with two equivalent O(5)Li3C tetrahedra,  an edgeedge with one O(7)Li2CrP trigonal pyramid, and  an edgeedge with one O(8)Li2CrP trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Li(4), one Li(5), one Cr(4), and one P(2) atom to form distorted OLi2CrP tetrahedra that share  a cornercorner with one O(10)Li3P tetrahedra,  a cornercorner with one O(16)Li2CrP trigonal pyramid,  a cornercorner with one O(18)Li2CrP trigonal pyramid,  a cornercorner with one O(7)Li2CrP trigonal pyramid,  a cornercorner with one O(8)Li2CrP trigonal pyramid, corners with two equivalent O(13)Li2CrP trigonal pyramids, and  an edgeedge with one O(5)Li3C tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(7), one Li(8), one Cr(2), and one P(3) atom to form distorted OLi2CrP tetrahedra that share  a cornercorner with one O(13)Li2CrP trigonal pyramid,  a cornercorner with one O(19)Li2CrP trigonal pyramid,  a cornercorner with one O(20)Li2CrP trigonal pyramid,  a cornercorner with one O(7)Li2CrP trigonal pyramid,  a cornercorner with one O(8)Li2CrP trigonal pyramid, corners with two equivalent O(16)Li2CrP trigonal pyramids, and  an edgeedge with one O(24)Li3C tetrahedra. In the sixteenth O site, O(16) is bonded to one Li(7), one Li(8), one Cr(4), and one P(1) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(14)Li2CrP tetrahedra, corners with two equivalent O(15)Li2CrP tetrahedra, corners with two equivalent O(24)Li3C tetrahedra,  a cornercorner with one O(7)Li2CrP trigonal pyramid, and  a cornercorner with one O(8)Li2CrP trigonal pyramid. In the seventeenth O site, O(17) is bonded to one Li(10), one Li(6), one Li(9), and one P(4) atom to form OLi3P tetrahedra that share  a cornercorner with one O(10)Li3P tetrahedra,  a cornercorner with one O(13)Li2CrP trigonal pyramid,  a cornercorner with one O(19)Li2CrP trigonal pyramid,  a cornercorner with one O(20)Li2CrP trigonal pyramid, corners with two equivalent O(18)Li2CrP trigonal pyramids, and  an edgeedge with one O(27)Li3C tetrahedra. In the eighteenth O site, O(18) is bonded to one Li(10), one Li(9), one Cr(3), and one P(2) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(14)Li2CrP tetrahedra,  a cornercorner with one O(10)Li3P tetrahedra, corners with two equivalent O(27)Li3C tetrahedra, corners with two equivalent O(17)Li3P tetrahedra,  an edgeedge with one O(19)Li2CrP trigonal pyramid, and  an edgeedge with one O(20)Li2CrP trigonal pyramid. In the nineteenth O site, O(19) is bonded to one Li(10), one Li(11), one Cr(3), and one P(3) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(15)Li2CrP tetrahedra,  a cornercorner with one O(24)Li3C tetrahedra,  a cornercorner with one O(27)Li3C tetrahedra,  a cornercorner with one O(17)Li3P tetrahedra,  a cornercorner with one O(20)Li2CrP trigonal pyramid,  an edgeedge with one O(18)Li2CrP trigonal pyramid, and  an edgeedge with one O(20)Li2CrP trigonal pyramid. In the twentieth O site, O(20) is bonded to one Li(11), one Li(9), one Cr(3), and one P(3) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(15)Li2CrP tetrahedra,  a cornercorner with one O(24)Li3C tetrahedra,  a cornercorner with one O(27)Li3C tetrahedra,  a cornercorner with one O(17)Li3P tetrahedra,  a cornercorner with one O(19)Li2CrP trigonal pyramid,  an edgeedge with one O(18)Li2CrP trigonal pyramid, and  an edgeedge with one O(19)Li2CrP trigonal pyramid. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Li(12), one Li(7), one Cr(4), and one P(4) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(12), one Li(8), one Cr(4), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a distorted rectangular see-saw-like geometry to one Li(7), one Li(8), one Cr(3), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded to one Li(11), one Li(7), one Li(8), and one C(1) atom to form a mixture of distorted edge and corner-sharing OLi3C tetrahedra. In the twenty-fifth O site, O(25) is bonded in a distorted rectangular see-saw-like geometry to one Li(10), one Li(9), one Cr(4), and one C(4) atom. In the twenty-sixth O site, O(26) is bonded in a distorted bent 120 degrees geometry to one Li(2), one Cr(3), and one C(3) atom. In the twenty-seventh O site, O(27) is bonded to one Li(10), one Li(12), one Li(9), and one C(2) atom to form distorted OLi3C tetrahedra that share  a cornercorner with one O(19)Li2CrP trigonal pyramid,  a cornercorner with one O(20)Li2CrP trigonal pyramid, corners with two equivalent O(18)Li2CrP trigonal pyramids, and  an edgeedge with one O(17)Li3P tetrahedra. In the twenty-eighth O site, O(28) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Cr(4), and one C(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3CrPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.476
_cell_length_b   8.695
_cell_length_c   10.015
_cell_angle_alpha   94.906
_cell_angle_beta   90.268
_cell_angle_gamma   90.270
_symmetry_Int_Tables_number   1
_cell_volume   561.927
_cell_formula_units_Z   4
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  0.886  0.391  1.0
  Li  Li1  1  0.736  0.890  0.882  1.0
  Li  Li2  1  0.526  0.709  0.113  1.0
  Li  Li3  1  0.981  0.730  0.645  1.0
  Li  Li4  1  0.524  0.727  0.642  1.0
  Li  Li5  1  0.259  0.652  0.873  1.0
  Li  Li6  1  0.474  0.274  0.372  1.0
  Li  Li7  1  0.025  0.277  0.373  1.0
  Li  Li8  1  0.469  0.279  0.869  1.0
  Li  Li9  1  0.028  0.277  0.870  1.0
  Li  Li10  1  0.253  0.115  0.101  1.0
  Li  Li11  1  0.252  0.101  0.625  1.0
  Cr  Cr12  1  0.030  0.755  0.114  1.0
  Cr  Cr13  1  0.248  0.666  0.407  1.0
  Cr  Cr14  1  0.745  0.336  0.100  1.0
  Cr  Cr15  1  0.750  0.335  0.605  1.0
  P  P16  1  0.744  0.588  0.365  1.0
  P  P17  1  0.749  0.589  0.864  1.0
  P  P18  1  0.247  0.414  0.140  1.0
  P  P19  1  0.250  0.411  0.641  1.0
  C  C20  1  0.241  0.970  0.349  1.0
  C  C21  1  0.244  0.960  0.855  1.0
  C  C22  1  0.757  0.035  0.146  1.0
  C  C23  1  0.751  0.033  0.647  1.0
  O  O24  1  0.251  0.954  0.474  1.0
  O  O25  1  0.780  0.897  0.190  1.0
  O  O26  1  0.239  0.933  0.980  1.0
  O  O27  1  0.236  0.840  0.267  1.0
  O  O28  1  0.750  0.895  0.688  1.0
  O  O29  1  0.246  0.849  0.760  1.0
  O  O30  1  0.934  0.685  0.420  1.0
  O  O31  1  0.562  0.688  0.425  1.0
  O  O32  1  0.942  0.683  0.920  1.0
  O  O33  1  0.562  0.687  0.915  1.0
  O  O34  1  0.254  0.581  0.095  1.0
  O  O35  1  0.736  0.580  0.209  1.0
  O  O36  1  0.251  0.577  0.595  1.0
  O  O37  1  0.756  0.580  0.708  1.0
  O  O38  1  0.250  0.418  0.295  1.0
  O  O39  1  0.746  0.422  0.409  1.0
  O  O40  1  0.250  0.422  0.795  1.0
  O  O41  1  0.746  0.422  0.908  1.0
  O  O42  1  0.059  0.318  0.081  1.0
  O  O43  1  0.431  0.316  0.080  1.0
  O  O44  1  0.436  0.313  0.583  1.0
  O  O45  1  0.063  0.313  0.582  1.0
  O  O46  1  0.740  0.154  0.233  1.0
  O  O47  1  0.240  0.101  0.299  1.0
  O  O48  1  0.751  0.154  0.735  1.0
  O  O49  1  0.752  0.051  0.021  1.0
  O  O50  1  0.250  0.105  0.824  1.0
  O  O51  1  0.751  0.055  0.522  1.0
[/CIF]
.
The crystal structure described by Li3CrCPO7 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(28), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(10), one O(26), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(12), one O(2), and one O(4) atom. In the fourth Li site, Li(4) is bonded to one O(13), one O(14), one O(5), one O(6), and one O(7) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and edges with two equivalent Li(5)O5 trigonal bipyramids. In the fifth Li site, Li(5) is bonded to one O(13), one O(14), one O(5), one O(6), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(17), one O(6), and one O(9) atom. In the seventh Li site, Li(7) is bonded to one O(15), one O(16), one O(21), one O(23), and one O(24) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and edges with two equivalent Li(8)O5 trigonal bipyramids. In the eighth Li site, Li(8) is bonded to one O(15), one O(16), one O(22), one O(23), and one O(24) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and edges with two equivalent Li(7)O5 trigonal bipyramids. In the ninth Li site, Li(9) is bonded to one O(17), one O(18), one O(20), one O(25), and one O(27) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and edges with two equivalent Li(10)O5 trigonal bipyramids. In the tenth Li site, Li(10) is bonded to one O(17), one O(18), one O(19), one O(25), and one O(27) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and edges with two equivalent Li(9)O5 trigonal bipyramids. In the eleventh Li site, Li(11) is bonded in a 4-coordinate geometry to one O(19), one O(20), one O(24), and one O(3) atom. In the twelfth Li site, Li(12) is bonded in a 4-coordinate geometry to one O(1), one O(21), one O(22), and one O(27) atom. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), and one O(9) atom. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one O(1), one O(13), one O(15), one O(4), one O(7), and one O(8) atom. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to one O(12), one O(18), one O(19), one O(20), one O(23), and one O(26) atom. In the fourth Cr site, Cr(4) is bonded in a 6-coordinate geometry to one O(14), one O(16), one O(21), one O(22), one O(25), and one O(28) atom. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(24), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(27), one O(3), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(2), one O(23), and one O(26) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(25), one O(28), and one O(5) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(16), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  a cornercorner with one Li(8)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(10), one O(14), one O(18), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(10)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  a cornercorner with one Li(9)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(11), one O(15), one O(19), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Li(10)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid,  a cornercorner with one Li(8)O5 trigonal bipyramid, and  a cornercorner with one Li(9)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(13), one O(17), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Li(10)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid,  a cornercorner with one Li(8)O5 trigonal bipyramid, and  a cornercorner with one Li(9)O5 trigonal bipyramid. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(12), one Cr(2), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Cr(1), and one C(3) atom to form distorted OLi2CrC tetrahedra that share  a cornercorner with one O(10)Li3P tetrahedra,  a cornercorner with one O(7)Li2CrP trigonal pyramid, and  a cornercorner with one O(8)Li2CrP trigonal pyramid. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(11), one Cr(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(3), one Cr(1), one Cr(2), and one C(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Li(5), and one C(4) atom to form distorted OLi3C tetrahedra that share  a cornercorner with one O(10)Li3P tetrahedra,  a cornercorner with one O(7)Li2CrP trigonal pyramid,  a cornercorner with one O(8)Li2CrP trigonal pyramid, corners with two equivalent O(13)Li2CrP trigonal pyramids, and  an edgeedge with one O(14)Li2CrP tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Li(6), and one C(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Cr(2), and one P(1) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(2)Li2CrC tetrahedra,  a cornercorner with one O(14)Li2CrP tetrahedra,  a cornercorner with one O(15)Li2CrP tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(16)Li2CrP trigonal pyramid,  a cornercorner with one O(8)Li2CrP trigonal pyramid,  an edgeedge with one O(13)Li2CrP trigonal pyramid, and  an edgeedge with one O(8)Li2CrP trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(5), one Cr(2), and one P(1) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(2)Li2CrC tetrahedra,  a cornercorner with one O(14)Li2CrP tetrahedra,  a cornercorner with one O(15)Li2CrP tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(16)Li2CrP trigonal pyramid,  a cornercorner with one O(7)Li2CrP trigonal pyramid,  an edgeedge with one O(13)Li2CrP trigonal pyramid, and  an edgeedge with one O(7)Li2CrP trigonal pyramid. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(2), one Li(6), one Cr(1), and one P(2) atom. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Li(6), and one P(2) atom to form distorted OLi3P tetrahedra that share  a cornercorner with one O(2)Li2CrC tetrahedra,  a cornercorner with one O(14)Li2CrP tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(17)Li3P tetrahedra, and  a cornercorner with one O(18)Li2CrP trigonal pyramid. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(3), one Li(6), one Cr(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(3), one Cr(1), one Cr(3), and one P(1) atom. In the thirteenth O site, O(13) is bonded to one Li(4), one Li(5), one Cr(2), and one P(4) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(15)Li2CrP tetrahedra,  a cornercorner with one O(17)Li3P tetrahedra, corners with two equivalent O(14)Li2CrP tetrahedra, corners with two equivalent O(5)Li3C tetrahedra,  an edgeedge with one O(7)Li2CrP trigonal pyramid, and  an edgeedge with one O(8)Li2CrP trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Li(4), one Li(5), one Cr(4), and one P(2) atom to form distorted OLi2CrP tetrahedra that share  a cornercorner with one O(10)Li3P tetrahedra,  a cornercorner with one O(16)Li2CrP trigonal pyramid,  a cornercorner with one O(18)Li2CrP trigonal pyramid,  a cornercorner with one O(7)Li2CrP trigonal pyramid,  a cornercorner with one O(8)Li2CrP trigonal pyramid, corners with two equivalent O(13)Li2CrP trigonal pyramids, and  an edgeedge with one O(5)Li3C tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(7), one Li(8), one Cr(2), and one P(3) atom to form distorted OLi2CrP tetrahedra that share  a cornercorner with one O(13)Li2CrP trigonal pyramid,  a cornercorner with one O(19)Li2CrP trigonal pyramid,  a cornercorner with one O(20)Li2CrP trigonal pyramid,  a cornercorner with one O(7)Li2CrP trigonal pyramid,  a cornercorner with one O(8)Li2CrP trigonal pyramid, corners with two equivalent O(16)Li2CrP trigonal pyramids, and  an edgeedge with one O(24)Li3C tetrahedra. In the sixteenth O site, O(16) is bonded to one Li(7), one Li(8), one Cr(4), and one P(1) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(14)Li2CrP tetrahedra, corners with two equivalent O(15)Li2CrP tetrahedra, corners with two equivalent O(24)Li3C tetrahedra,  a cornercorner with one O(7)Li2CrP trigonal pyramid, and  a cornercorner with one O(8)Li2CrP trigonal pyramid. In the seventeenth O site, O(17) is bonded to one Li(10), one Li(6), one Li(9), and one P(4) atom to form OLi3P tetrahedra that share  a cornercorner with one O(10)Li3P tetrahedra,  a cornercorner with one O(13)Li2CrP trigonal pyramid,  a cornercorner with one O(19)Li2CrP trigonal pyramid,  a cornercorner with one O(20)Li2CrP trigonal pyramid, corners with two equivalent O(18)Li2CrP trigonal pyramids, and  an edgeedge with one O(27)Li3C tetrahedra. In the eighteenth O site, O(18) is bonded to one Li(10), one Li(9), one Cr(3), and one P(2) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(14)Li2CrP tetrahedra,  a cornercorner with one O(10)Li3P tetrahedra, corners with two equivalent O(27)Li3C tetrahedra, corners with two equivalent O(17)Li3P tetrahedra,  an edgeedge with one O(19)Li2CrP trigonal pyramid, and  an edgeedge with one O(20)Li2CrP trigonal pyramid. In the nineteenth O site, O(19) is bonded to one Li(10), one Li(11), one Cr(3), and one P(3) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(15)Li2CrP tetrahedra,  a cornercorner with one O(24)Li3C tetrahedra,  a cornercorner with one O(27)Li3C tetrahedra,  a cornercorner with one O(17)Li3P tetrahedra,  a cornercorner with one O(20)Li2CrP trigonal pyramid,  an edgeedge with one O(18)Li2CrP trigonal pyramid, and  an edgeedge with one O(20)Li2CrP trigonal pyramid. In the twentieth O site, O(20) is bonded to one Li(11), one Li(9), one Cr(3), and one P(3) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(15)Li2CrP tetrahedra,  a cornercorner with one O(24)Li3C tetrahedra,  a cornercorner with one O(27)Li3C tetrahedra,  a cornercorner with one O(17)Li3P tetrahedra,  a cornercorner with one O(19)Li2CrP trigonal pyramid,  an edgeedge with one O(18)Li2CrP trigonal pyramid, and  an edgeedge with one O(19)Li2CrP trigonal pyramid. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Li(12), one Li(7), one Cr(4), and one P(4) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(12), one Li(8), one Cr(4), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a distorted rectangular see-saw-like geometry to one Li(7), one Li(8), one Cr(3), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded to one Li(11), one Li(7), one Li(8), and one C(1) atom to form a mixture of distorted edge and corner-sharing OLi3C tetrahedra. In the twenty-fifth O site, O(25) is bonded in a distorted rectangular see-saw-like geometry to one Li(10), one Li(9), one Cr(4), and one C(4) atom. In the twenty-sixth O site, O(26) is bonded in a distorted bent 120 degrees geometry to one Li(2), one Cr(3), and one C(3) atom. In the twenty-seventh O site, O(27) is bonded to one Li(10), one Li(12), one Li(9), and one C(2) atom to form distorted OLi3C tetrahedra that share  a cornercorner with one O(19)Li2CrP trigonal pyramid,  a cornercorner with one O(20)Li2CrP trigonal pyramid, corners with two equivalent O(18)Li2CrP trigonal pyramids, and  an edgeedge with one O(17)Li3P tetrahedra. In the twenty-eighth O site, O(28) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Cr(4), and one C(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3CrPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.476
_cell_length_b   8.695
_cell_length_c   10.015
_cell_angle_alpha   94.906
_cell_angle_beta   90.268
_cell_angle_gamma   90.270
_symmetry_Int_Tables_number   1
_cell_volume   561.927
_cell_formula_units_Z   4
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  0.886  0.391  1.0
  Li  Li1  1  0.736  0.890  0.882  1.0
  Li  Li2  1  0.526  0.709  0.113  1.0
  Li  Li3  1  0.981  0.730  0.645  1.0
  Li  Li4  1  0.524  0.727  0.642  1.0
  Li  Li5  1  0.259  0.652  0.873  1.0
  Li  Li6  1  0.474  0.274  0.372  1.0
  Li  Li7  1  0.025  0.277  0.373  1.0
  Li  Li8  1  0.469  0.279  0.869  1.0
  Li  Li9  1  0.028  0.277  0.870  1.0
  Li  Li10  1  0.253  0.115  0.101  1.0
  Li  Li11  1  0.252  0.101  0.625  1.0
  Cr  Cr12  1  0.030  0.755  0.114  1.0
  Cr  Cr13  1  0.248  0.666  0.407  1.0
  Cr  Cr14  1  0.745  0.336  0.100  1.0
  Cr  Cr15  1  0.750  0.335  0.605  1.0
  P  P16  1  0.744  0.588  0.365  1.0
  P  P17  1  0.749  0.589  0.864  1.0
  P  P18  1  0.247  0.414  0.140  1.0
  P  P19  1  0.250  0.411  0.641  1.0
  C  C20  1  0.241  0.970  0.349  1.0
  C  C21  1  0.244  0.960  0.855  1.0
  C  C22  1  0.757  0.035  0.146  1.0
  C  C23  1  0.751  0.033  0.647  1.0
  O  O24  1  0.251  0.954  0.474  1.0
  O  O25  1  0.780  0.897  0.190  1.0
  O  O26  1  0.239  0.933  0.980  1.0
  O  O27  1  0.236  0.840  0.267  1.0
  O  O28  1  0.750  0.895  0.688  1.0
  O  O29  1  0.246  0.849  0.760  1.0
  O  O30  1  0.934  0.685  0.420  1.0
  O  O31  1  0.562  0.688  0.425  1.0
  O  O32  1  0.942  0.683  0.920  1.0
  O  O33  1  0.562  0.687  0.915  1.0
  O  O34  1  0.254  0.581  0.095  1.0
  O  O35  1  0.736  0.580  0.209  1.0
  O  O36  1  0.251  0.577  0.595  1.0
  O  O37  1  0.756  0.580  0.708  1.0
  O  O38  1  0.250  0.418  0.295  1.0
  O  O39  1  0.746  0.422  0.409  1.0
  O  O40  1  0.250  0.422  0.795  1.0
  O  O41  1  0.746  0.422  0.908  1.0
  O  O42  1  0.059  0.318  0.081  1.0
  O  O43  1  0.431  0.316  0.080  1.0
  O  O44  1  0.436  0.313  0.583  1.0
  O  O45  1  0.063  0.313  0.582  1.0
  O  O46  1  0.740  0.154  0.233  1.0
  O  O47  1  0.240  0.101  0.299  1.0
  O  O48  1  0.751  0.154  0.735  1.0
  O  O49  1  0.752  0.051  0.021  1.0
  O  O50  1  0.250  0.105  0.824  1.0
  O  O51  1  0.751  0.055  0.522  1.0
[/CIF]
.