The compound described by Li3VCrP2(HO5)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one Cr(1), one O(1), one O(4), one O(5), and one O(7) atom. In the second Li site, Li(2) is bonded in a distorted single-bond geometry to one O(10) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one Cr(1), one O(10), one O(7), and one O(8) atom. V(1) is bonded in a distorted octahedral geometry to one H(1), one H(2), one O(1), one O(10), one O(2), and one O(9) atom. Cr(1) is bonded in a 10-coordinate geometry to one Li(1), one Li(3), one O(1), one O(10), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted L-shaped geometry to one O(2) and one O(5) atom. In the second P site, P(2) is bonded in a distorted L-shaped geometry to one O(3), one O(6), and one O(9) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a 2-coordinate geometry to one V(1) and one O(10) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one V(1) and one O(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one V(1), one Cr(1), one H(2), and one O(7) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Cr(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Li(1), one Cr(1), and one O(10) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(1), one Cr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cr(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Li(1), one Li(3), one Cr(1), and one O(1) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Li(3) and one Cr(1) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one V(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one V(1), one Cr(1), one H(1), and one O(4) atom. is represented by the CIF file [CIF]
data_Li3VCrP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.228
_cell_length_b   5.576
_cell_length_c   7.532
_cell_angle_alpha   110.900
_cell_angle_beta   106.998
_cell_angle_gamma   94.917
_symmetry_Int_Tables_number   1
_cell_volume   191.700
_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  0.235  0.604  0.828  1.0
  Li  Li1  1  0.775  0.408  0.261  1.0
  Li  Li2  1  0.480  0.149  0.156  1.0
  V  V3  1  0.989  0.996  0.507  1.0
  Cr  Cr4  1  0.003  0.000  0.992  1.0
  P  P5  1  0.343  0.638  0.222  1.0
  P  P6  1  0.662  0.367  0.755  1.0
  H  H7  1  0.665  0.911  0.348  1.0
  H  H8  1  0.353  0.062  0.663  1.0
  O  O9  1  0.163  0.951  0.730  1.0
  O  O10  1  0.280  0.788  0.366  1.0
  O  O11  1  0.662  0.655  0.666  1.0
  O  O12  1  0.649  0.752  0.067  1.0
  O  O13  1  0.135  0.666  0.112  1.0
  O  O14  1  0.864  0.324  0.872  1.0
  O  O15  1  0.360  0.240  0.928  1.0
  O  O16  1  0.331  0.346  0.324  1.0
  O  O17  1  0.716  0.239  0.598  1.0
  O  O18  1  0.829  0.055  0.262  1.0
[/CIF]
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The compound described by Li3VCrP2(HO5)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one Cr(1), one O(1), one O(4), one O(5), and one O(7) atom. In the second Li site, Li(2) is bonded in a distorted single-bond geometry to one O(10) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one Cr(1), one O(10), one O(7), and one O(8) atom. V(1) is bonded in a distorted octahedral geometry to one H(1), one H(2), one O(1), one O(10), one O(2), and one O(9) atom. Cr(1) is bonded in a 10-coordinate geometry to one Li(1), one Li(3), one O(1), one O(10), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted L-shaped geometry to one O(2) and one O(5) atom. In the second P site, P(2) is bonded in a distorted L-shaped geometry to one O(3), one O(6), and one O(9) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a 2-coordinate geometry to one V(1) and one O(10) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one V(1) and one O(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one V(1), one Cr(1), one H(2), and one O(7) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Cr(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Li(1), one Cr(1), and one O(10) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(1), one Cr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cr(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Li(1), one Li(3), one Cr(1), and one O(1) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Li(3) and one Cr(1) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one V(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one V(1), one Cr(1), one H(1), and one O(4) atom. is represented by the CIF file [CIF]
data_Li3VCrP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.228
_cell_length_b   5.576
_cell_length_c   7.532
_cell_angle_alpha   110.900
_cell_angle_beta   106.998
_cell_angle_gamma   94.917
_symmetry_Int_Tables_number   1
_cell_volume   191.700
_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  0.235  0.604  0.828  1.0
  Li  Li1  1  0.775  0.408  0.261  1.0
  Li  Li2  1  0.480  0.149  0.156  1.0
  V  V3  1  0.989  0.996  0.507  1.0
  Cr  Cr4  1  0.003  0.000  0.992  1.0
  P  P5  1  0.343  0.638  0.222  1.0
  P  P6  1  0.662  0.367  0.755  1.0
  H  H7  1  0.665  0.911  0.348  1.0
  H  H8  1  0.353  0.062  0.663  1.0
  O  O9  1  0.163  0.951  0.730  1.0
  O  O10  1  0.280  0.788  0.366  1.0
  O  O11  1  0.662  0.655  0.666  1.0
  O  O12  1  0.649  0.752  0.067  1.0
  O  O13  1  0.135  0.666  0.112  1.0
  O  O14  1  0.864  0.324  0.872  1.0
  O  O15  1  0.360  0.240  0.928  1.0
  O  O16  1  0.331  0.346  0.324  1.0
  O  O17  1  0.716  0.239  0.598  1.0
  O  O18  1  0.829  0.055  0.262  1.0
[/CIF]
.