The crystal structure described by LiMnCAsO7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a distorted pentagonal planar geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. As(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form AsO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one As(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one As(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 As(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(1) and one As(1) atom. is represented by the CIF file [CIF]
data_LiMnAsCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.412
_cell_length_b   5.215
_cell_length_c   8.907
_cell_angle_alpha   85.822
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.058
_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
  Li  Li0  1  0.499  0.780  0.790  1.0
  Li  Li1  1  0.999  0.220  0.210  1.0
  Mn  Mn2  1  0.249  0.205  0.668  1.0
  Mn  Mn3  1  0.749  0.795  0.332  1.0
  As  As4  1  0.754  0.279  0.570  1.0
  As  As5  1  0.254  0.721  0.430  1.0
  C  C6  1  0.250  0.275  0.933  1.0
  C  C7  1  0.750  0.725  0.067  1.0
  O  O8  1  0.723  0.688  0.934  1.0
  O  O9  1  0.256  0.047  0.877  1.0
  O  O10  1  0.270  0.460  0.823  1.0
  O  O11  1  0.955  0.200  0.691  1.0
  O  O12  1  0.550  0.172  0.682  1.0
  O  O13  1  0.263  0.856  0.600  1.0
  O  O14  1  0.733  0.607  0.528  1.0
  O  O15  1  0.233  0.393  0.472  1.0
  O  O16  1  0.763  0.144  0.400  1.0
  O  O17  1  0.050  0.828  0.318  1.0
  O  O18  1  0.455  0.800  0.309  1.0
  O  O19  1  0.770  0.540  0.177  1.0
  O  O20  1  0.756  0.953  0.123  1.0
  O  O21  1  0.223  0.312  0.066  1.0
[/CIF]
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The crystal structure described by LiMnCAsO7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a distorted pentagonal planar geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. As(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form AsO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one As(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one As(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 As(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(1) and one As(1) atom. is represented by the CIF file [CIF]
data_LiMnAsCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.412
_cell_length_b   5.215
_cell_length_c   8.907
_cell_angle_alpha   85.822
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.058
_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
  Li  Li0  1  0.499  0.780  0.790  1.0
  Li  Li1  1  0.999  0.220  0.210  1.0
  Mn  Mn2  1  0.249  0.205  0.668  1.0
  Mn  Mn3  1  0.749  0.795  0.332  1.0
  As  As4  1  0.754  0.279  0.570  1.0
  As  As5  1  0.254  0.721  0.430  1.0
  C  C6  1  0.250  0.275  0.933  1.0
  C  C7  1  0.750  0.725  0.067  1.0
  O  O8  1  0.723  0.688  0.934  1.0
  O  O9  1  0.256  0.047  0.877  1.0
  O  O10  1  0.270  0.460  0.823  1.0
  O  O11  1  0.955  0.200  0.691  1.0
  O  O12  1  0.550  0.172  0.682  1.0
  O  O13  1  0.263  0.856  0.600  1.0
  O  O14  1  0.733  0.607  0.528  1.0
  O  O15  1  0.233  0.393  0.472  1.0
  O  O16  1  0.763  0.144  0.400  1.0
  O  O17  1  0.050  0.828  0.318  1.0
  O  O18  1  0.455  0.800  0.309  1.0
  O  O19  1  0.770  0.540  0.177  1.0
  O  O20  1  0.756  0.953  0.123  1.0
  O  O21  1  0.223  0.312  0.066  1.0
[/CIF]
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