The material structure described by LiVMnP2(HO5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form distorted LiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. V(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-49°. Mn(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-47°. In the second P site, P(2) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-47°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one V(1), one Mn(1), and one H(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Li(1), one V(1), one Mn(1), and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnVP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.314
_cell_length_b   7.610
_cell_length_c   5.173
_cell_angle_alpha   110.003
_cell_angle_beta   93.961
_cell_angle_gamma   110.366
_symmetry_Int_Tables_number   1
_cell_volume   180.035
_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  0.496  0.984  0.977  1.0
  Mn  Mn1  1  0.009  0.006  0.998  1.0
  V  V2  1  0.007  0.503  0.996  1.0
  P  P3  1  0.347  0.246  0.638  1.0
  P  P4  1  0.668  0.761  0.354  1.0
  H  H5  1  0.944  0.323  0.317  1.0
  H  H6  1  0.052  0.680  0.673  1.0
  O  O7  1  0.114  0.735  0.879  1.0
  O  O8  1  0.152  0.360  0.683  1.0
  O  O9  1  0.363  0.613  0.243  1.0
  O  O10  1  0.315  0.132  0.318  1.0
  O  O11  1  0.281  0.093  0.783  1.0
  O  O12  1  0.735  0.913  0.208  1.0
  O  O13  1  0.702  0.876  0.675  1.0
  O  O14  1  0.652  0.395  0.750  1.0
  O  O15  1  0.863  0.646  0.311  1.0
  O  O16  1  0.899  0.271  0.110  1.0
[/CIF]
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The material structure described by LiVMnP2(HO5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form distorted LiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. V(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-49°. Mn(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-47°. In the second P site, P(2) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-47°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one V(1), one Mn(1), and one H(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Li(1), one V(1), one Mn(1), and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnVP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.314
_cell_length_b   7.610
_cell_length_c   5.173
_cell_angle_alpha   110.003
_cell_angle_beta   93.961
_cell_angle_gamma   110.366
_symmetry_Int_Tables_number   1
_cell_volume   180.035
_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  0.496  0.984  0.977  1.0
  Mn  Mn1  1  0.009  0.006  0.998  1.0
  V  V2  1  0.007  0.503  0.996  1.0
  P  P3  1  0.347  0.246  0.638  1.0
  P  P4  1  0.668  0.761  0.354  1.0
  H  H5  1  0.944  0.323  0.317  1.0
  H  H6  1  0.052  0.680  0.673  1.0
  O  O7  1  0.114  0.735  0.879  1.0
  O  O8  1  0.152  0.360  0.683  1.0
  O  O9  1  0.363  0.613  0.243  1.0
  O  O10  1  0.315  0.132  0.318  1.0
  O  O11  1  0.281  0.093  0.783  1.0
  O  O12  1  0.735  0.913  0.208  1.0
  O  O13  1  0.702  0.876  0.675  1.0
  O  O14  1  0.652  0.395  0.750  1.0
  O  O15  1  0.863  0.646  0.311  1.0
  O  O16  1  0.899  0.271  0.110  1.0
[/CIF]
.