The material described by Li1MnSiO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with five equivalent Mn(1)O5 square pyramids and corners with four equivalent Si(1)O4 tetrahedra. Mn(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Mn(1)O5 square pyramids, corners with three equivalent Si(1)O4 tetrahedra, corners with five equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with three equivalent Mn(1)O5 square pyramids, corners with four equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O5 square pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Si(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Si(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.110
_cell_length_b   7.058
_cell_length_c   9.490
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   342.286
_cell_formula_units_Z   4
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  0.248  0.531  0.182  1.0
  Li  Li1  1  0.748  0.031  0.318  1.0
  Li  Li2  1  0.248  0.969  0.682  1.0
  Li  Li3  1  0.748  0.469  0.818  1.0
  Mn  Mn4  1  0.186  0.024  0.118  1.0
  Mn  Mn5  1  0.686  0.524  0.382  1.0
  Mn  Mn6  1  0.186  0.476  0.618  1.0
  Mn  Mn7  1  0.686  0.976  0.882  1.0
  Si  Si8  1  0.762  0.739  0.091  1.0
  Si  Si9  1  0.262  0.239  0.409  1.0
  Si  Si10  1  0.762  0.761  0.591  1.0
  Si  Si11  1  0.262  0.261  0.909  1.0
  O  O12  1  0.220  0.293  0.080  1.0
  O  O13  1  0.072  0.765  0.132  1.0
  O  O14  1  0.629  0.574  0.186  1.0
  O  O15  1  0.630  0.958  0.099  1.0
  O  O16  1  0.130  0.458  0.401  1.0
  O  O17  1  0.129  0.074  0.314  1.0
  O  O18  1  0.572  0.265  0.368  1.0
  O  O19  1  0.720  0.793  0.420  1.0
  O  O20  1  0.220  0.207  0.580  1.0
  O  O21  1  0.072  0.735  0.632  1.0
  O  O22  1  0.629  0.926  0.686  1.0
  O  O23  1  0.630  0.542  0.599  1.0
  O  O24  1  0.130  0.042  0.901  1.0
  O  O25  1  0.129  0.426  0.814  1.0
  O  O26  1  0.572  0.235  0.868  1.0
  O  O27  1  0.720  0.707  0.920  1.0
[/CIF]
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The material described by Li1MnSiO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with five equivalent Mn(1)O5 square pyramids and corners with four equivalent Si(1)O4 tetrahedra. Mn(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Mn(1)O5 square pyramids, corners with three equivalent Si(1)O4 tetrahedra, corners with five equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with three equivalent Mn(1)O5 square pyramids, corners with four equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O5 square pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Si(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Si(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.110
_cell_length_b   7.058
_cell_length_c   9.490
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   342.286
_cell_formula_units_Z   4
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  0.248  0.531  0.182  1.0
  Li  Li1  1  0.748  0.031  0.318  1.0
  Li  Li2  1  0.248  0.969  0.682  1.0
  Li  Li3  1  0.748  0.469  0.818  1.0
  Mn  Mn4  1  0.186  0.024  0.118  1.0
  Mn  Mn5  1  0.686  0.524  0.382  1.0
  Mn  Mn6  1  0.186  0.476  0.618  1.0
  Mn  Mn7  1  0.686  0.976  0.882  1.0
  Si  Si8  1  0.762  0.739  0.091  1.0
  Si  Si9  1  0.262  0.239  0.409  1.0
  Si  Si10  1  0.762  0.761  0.591  1.0
  Si  Si11  1  0.262  0.261  0.909  1.0
  O  O12  1  0.220  0.293  0.080  1.0
  O  O13  1  0.072  0.765  0.132  1.0
  O  O14  1  0.629  0.574  0.186  1.0
  O  O15  1  0.630  0.958  0.099  1.0
  O  O16  1  0.130  0.458  0.401  1.0
  O  O17  1  0.129  0.074  0.314  1.0
  O  O18  1  0.572  0.265  0.368  1.0
  O  O19  1  0.720  0.793  0.420  1.0
  O  O20  1  0.220  0.207  0.580  1.0
  O  O21  1  0.072  0.735  0.632  1.0
  O  O22  1  0.629  0.926  0.686  1.0
  O  O23  1  0.630  0.542  0.599  1.0
  O  O24  1  0.130  0.042  0.901  1.0
  O  O25  1  0.129  0.426  0.814  1.0
  O  O26  1  0.572  0.235  0.868  1.0
  O  O27  1  0.720  0.707  0.920  1.0
[/CIF]
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