The crystal structure described by LiVMnP2(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 5-coordinate geometry to one O(1), one O(12), one O(2), one O(5), and one O(8) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(14), one O(18), one O(24), one O(3), and one O(7) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(19), one O(23), one O(26), one O(29), and one O(30) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(14), one O(20), one O(21), one O(29), and one O(4) atom to form VO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second V site, V(2) is bonded to one O(10), one O(11), one O(17), one O(19), one O(2), and one O(27) atom to form VO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-49°. In the third V site, V(3) is bonded to one O(15), one O(16), one O(22), one O(28), one O(3), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  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  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-45°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(17), one O(18), one O(24), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. In the second Mn site, Mn(2) is bonded to one O(13), one O(14), one O(22), one O(23), one O(26), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the third Mn site, Mn(3) is bonded to one O(1), one O(12), one O(19), one O(25), one O(30), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(18), one O(27), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-51°. In the second P site, P(2) is bonded to one O(10), one O(20), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-52°. In the third P site, P(3) is bonded to one O(15), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. In the fourth P site, P(4) is bonded to one O(16), one O(23), one O(24), and one O(29) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. In the fifth P site, P(5) is bonded to one O(11), one O(21), one O(25), and one O(26) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-51°. In the sixth P site, P(6) is bonded to one O(13), one O(28), one O(30), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-52°. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(19) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(14) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(17) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(22) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(12) atom. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one V(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(6) 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(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Mn(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one V(3), one Mn(1), and one H(2) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one V(2) and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(2) and one P(5) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Li(1), one V(1), one Mn(3), and one H(6) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(6) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Li(2), one V(1), one Mn(2), and one H(3) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one V(3) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one V(3) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one V(2), one Mn(1), and one H(4) atom. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(1), and one P(1) atom. In the nineteenth O site, O(19) is bonded in a distorted single-bond geometry to one Li(3), one V(2), one Mn(3), and one H(1) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the twenty-first O site, O(21) is bonded in a 2-coordinate geometry to one V(1) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one V(3), one Mn(2), and one H(5) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Li(3), one Mn(2), and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(5) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Li(3), one Mn(2), and one P(5) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one V(3) and one P(6) atom. In the twenty-ninth O site, O(29) is bonded in a 3-coordinate geometry to one Li(3), one V(1), and one P(4) atom. In the thirtieth O site, O(30) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(3), and one P(6) 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   7.444
_cell_length_b   11.321
_cell_length_c   6.794
_cell_angle_alpha   73.047
_cell_angle_beta   88.856
_cell_angle_gamma   81.352
_symmetry_Int_Tables_number   1
_cell_volume   541.283
_cell_formula_units_Z   3
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  0.696  0.158  0.746  1.0
  Li  Li1  1  0.641  0.507  0.920  1.0
  Li  Li2  1  0.304  0.840  0.253  1.0
  Mn  Mn3  1  0.668  0.333  0.334  1.0
  Mn  Mn4  1  0.330  0.664  0.670  1.0
  Mn  Mn5  1  0.002  0.999  1.000  1.0
  V  V6  1  0.666  0.835  0.831  1.0
  V  V7  1  0.336  0.166  0.171  1.0
  V  V8  1  0.000  0.501  0.497  1.0
  P  P9  1  0.929  0.302  0.949  1.0
  P  P10  1  0.742  0.030  0.383  1.0
  P  P11  1  0.406  0.363  0.718  1.0
  P  P12  1  0.595  0.637  0.282  1.0
  P  P13  1  0.260  0.968  0.616  1.0
  P  P14  1  0.074  0.699  0.050  1.0
  H  H15  1  0.331  0.017  0.957  1.0
  H  H16  1  0.999  0.335  0.316  1.0
  H  H17  1  0.662  0.682  0.626  1.0
  H  H18  1  0.335  0.332  0.349  1.0
  H  H19  1  0.000  0.663  0.689  1.0
  H  H20  1  0.670  0.984  0.043  1.0
  O  O21  1  0.920  0.194  0.861  1.0
  O  O22  1  0.409  0.235  0.890  1.0
  O  O23  1  0.922  0.429  0.777  1.0
  O  O24  1  0.903  0.721  0.904  1.0
  O  O25  1  0.737  0.136  0.479  1.0
  O  O26  1  0.915  0.015  0.260  1.0
  O  O27  1  0.418  0.469  0.807  1.0
  O  O28  1  0.582  0.338  0.599  1.0
  O  O29  1  0.911  0.369  0.405  1.0
  O  O30  1  0.574  0.051  0.234  1.0
  O  O31  1  0.261  0.093  0.441  1.0
  O  O32  1  0.745  0.973  0.924  1.0
  O  O33  1  0.247  0.682  0.927  1.0
  O  O34  1  0.586  0.693  0.744  1.0
  O  O35  1  0.239  0.387  0.569  1.0
  O  O36  1  0.759  0.615  0.434  1.0
  O  O37  1  0.422  0.298  0.261  1.0
  O  O38  1  0.752  0.325  0.069  1.0
  O  O39  1  0.257  0.027  0.076  1.0
  O  O40  1  0.738  0.904  0.559  1.0
  O  O41  1  0.428  0.949  0.766  1.0
  O  O42  1  0.087  0.630  0.598  1.0
  O  O43  1  0.418  0.658  0.401  1.0
  O  O44  1  0.598  0.531  0.188  1.0
  O  O45  1  0.087  0.982  0.740  1.0
  O  O46  1  0.269  0.861  0.523  1.0
  O  O47  1  0.097  0.278  0.097  1.0
  O  O48  1  0.070  0.574  0.225  1.0
  O  O49  1  0.589  0.766  0.110  1.0
  O  O50  1  0.080  0.806  0.141  1.0
[/CIF]
.
The crystal structure described by LiVMnP2(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 5-coordinate geometry to one O(1), one O(12), one O(2), one O(5), and one O(8) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(14), one O(18), one O(24), one O(3), and one O(7) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(19), one O(23), one O(26), one O(29), and one O(30) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(14), one O(20), one O(21), one O(29), and one O(4) atom to form VO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second V site, V(2) is bonded to one O(10), one O(11), one O(17), one O(19), one O(2), and one O(27) atom to form VO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-49°. In the third V site, V(3) is bonded to one O(15), one O(16), one O(22), one O(28), one O(3), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  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  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-45°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(17), one O(18), one O(24), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. In the second Mn site, Mn(2) is bonded to one O(13), one O(14), one O(22), one O(23), one O(26), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the third Mn site, Mn(3) is bonded to one O(1), one O(12), one O(19), one O(25), one O(30), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(18), one O(27), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-51°. In the second P site, P(2) is bonded to one O(10), one O(20), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-52°. In the third P site, P(3) is bonded to one O(15), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. In the fourth P site, P(4) is bonded to one O(16), one O(23), one O(24), and one O(29) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. In the fifth P site, P(5) is bonded to one O(11), one O(21), one O(25), and one O(26) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-51°. In the sixth P site, P(6) is bonded to one O(13), one O(28), one O(30), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-52°. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(19) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(14) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(17) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(22) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(12) atom. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one V(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(6) 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(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Mn(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one V(3), one Mn(1), and one H(2) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one V(2) and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(2) and one P(5) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Li(1), one V(1), one Mn(3), and one H(6) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(6) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Li(2), one V(1), one Mn(2), and one H(3) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one V(3) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one V(3) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one V(2), one Mn(1), and one H(4) atom. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(1), and one P(1) atom. In the nineteenth O site, O(19) is bonded in a distorted single-bond geometry to one Li(3), one V(2), one Mn(3), and one H(1) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the twenty-first O site, O(21) is bonded in a 2-coordinate geometry to one V(1) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one V(3), one Mn(2), and one H(5) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Li(3), one Mn(2), and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(5) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Li(3), one Mn(2), and one P(5) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one V(3) and one P(6) atom. In the twenty-ninth O site, O(29) is bonded in a 3-coordinate geometry to one Li(3), one V(1), and one P(4) atom. In the thirtieth O site, O(30) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(3), and one P(6) 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   7.444
_cell_length_b   11.321
_cell_length_c   6.794
_cell_angle_alpha   73.047
_cell_angle_beta   88.856
_cell_angle_gamma   81.352
_symmetry_Int_Tables_number   1
_cell_volume   541.283
_cell_formula_units_Z   3
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  0.696  0.158  0.746  1.0
  Li  Li1  1  0.641  0.507  0.920  1.0
  Li  Li2  1  0.304  0.840  0.253  1.0
  Mn  Mn3  1  0.668  0.333  0.334  1.0
  Mn  Mn4  1  0.330  0.664  0.670  1.0
  Mn  Mn5  1  0.002  0.999  1.000  1.0
  V  V6  1  0.666  0.835  0.831  1.0
  V  V7  1  0.336  0.166  0.171  1.0
  V  V8  1  0.000  0.501  0.497  1.0
  P  P9  1  0.929  0.302  0.949  1.0
  P  P10  1  0.742  0.030  0.383  1.0
  P  P11  1  0.406  0.363  0.718  1.0
  P  P12  1  0.595  0.637  0.282  1.0
  P  P13  1  0.260  0.968  0.616  1.0
  P  P14  1  0.074  0.699  0.050  1.0
  H  H15  1  0.331  0.017  0.957  1.0
  H  H16  1  0.999  0.335  0.316  1.0
  H  H17  1  0.662  0.682  0.626  1.0
  H  H18  1  0.335  0.332  0.349  1.0
  H  H19  1  0.000  0.663  0.689  1.0
  H  H20  1  0.670  0.984  0.043  1.0
  O  O21  1  0.920  0.194  0.861  1.0
  O  O22  1  0.409  0.235  0.890  1.0
  O  O23  1  0.922  0.429  0.777  1.0
  O  O24  1  0.903  0.721  0.904  1.0
  O  O25  1  0.737  0.136  0.479  1.0
  O  O26  1  0.915  0.015  0.260  1.0
  O  O27  1  0.418  0.469  0.807  1.0
  O  O28  1  0.582  0.338  0.599  1.0
  O  O29  1  0.911  0.369  0.405  1.0
  O  O30  1  0.574  0.051  0.234  1.0
  O  O31  1  0.261  0.093  0.441  1.0
  O  O32  1  0.745  0.973  0.924  1.0
  O  O33  1  0.247  0.682  0.927  1.0
  O  O34  1  0.586  0.693  0.744  1.0
  O  O35  1  0.239  0.387  0.569  1.0
  O  O36  1  0.759  0.615  0.434  1.0
  O  O37  1  0.422  0.298  0.261  1.0
  O  O38  1  0.752  0.325  0.069  1.0
  O  O39  1  0.257  0.027  0.076  1.0
  O  O40  1  0.738  0.904  0.559  1.0
  O  O41  1  0.428  0.949  0.766  1.0
  O  O42  1  0.087  0.630  0.598  1.0
  O  O43  1  0.418  0.658  0.401  1.0
  O  O44  1  0.598  0.531  0.188  1.0
  O  O45  1  0.087  0.982  0.740  1.0
  O  O46  1  0.269  0.861  0.523  1.0
  O  O47  1  0.097  0.278  0.097  1.0
  O  O48  1  0.070  0.574  0.225  1.0
  O  O49  1  0.589  0.766  0.110  1.0
  O  O50  1  0.080  0.806  0.141  1.0
[/CIF]
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