The material structure described by LiMnAsO5 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(5) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one As(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_LiMnAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.293
_cell_length_b   5.449
_cell_length_c   7.056
_cell_angle_alpha   105.843
_cell_angle_beta   105.720
_cell_angle_gamma   103.038
_symmetry_Int_Tables_number   1
_cell_volume   178.320
_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
  As  As0  1  0.313  0.159  0.761  1.0
  As  As1  1  0.686  0.841  0.239  1.0
  Li  Li2  1  0.712  0.813  0.733  1.0
  Li  Li3  1  0.288  0.187  0.267  1.0
  Mn  Mn4  1  1.000  0.500  1.000  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.370  0.702  0.038  1.0
  O  O7  1  0.630  0.298  0.962  1.0
  O  O8  1  0.682  0.163  0.352  1.0
  O  O9  1  0.318  0.837  0.648  1.0
  O  O10  1  0.747  0.702  0.433  1.0
  O  O11  1  0.253  0.298  0.567  1.0
  O  O12  1  0.935  0.843  0.122  1.0
  O  O13  1  0.065  0.157  0.878  1.0
  O  O14  1  0.889  0.536  0.736  1.0
  O  O15  1  0.111  0.464  0.264  1.0
[/CIF]
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The material structure described by LiMnAsO5 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(5) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one As(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_LiMnAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.293
_cell_length_b   5.449
_cell_length_c   7.056
_cell_angle_alpha   105.843
_cell_angle_beta   105.720
_cell_angle_gamma   103.038
_symmetry_Int_Tables_number   1
_cell_volume   178.320
_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
  As  As0  1  0.313  0.159  0.761  1.0
  As  As1  1  0.686  0.841  0.239  1.0
  Li  Li2  1  0.712  0.813  0.733  1.0
  Li  Li3  1  0.288  0.187  0.267  1.0
  Mn  Mn4  1  1.000  0.500  1.000  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.370  0.702  0.038  1.0
  O  O7  1  0.630  0.298  0.962  1.0
  O  O8  1  0.682  0.163  0.352  1.0
  O  O9  1  0.318  0.837  0.648  1.0
  O  O10  1  0.747  0.702  0.433  1.0
  O  O11  1  0.253  0.298  0.567  1.0
  O  O12  1  0.935  0.843  0.122  1.0
  O  O13  1  0.065  0.157  0.878  1.0
  O  O14  1  0.889  0.536  0.736  1.0
  O  O15  1  0.111  0.464  0.264  1.0
[/CIF]
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