The material described by LiMn4(BO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted single-bond geometry to one O(10), one O(12), one O(7), and one O(9) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted T-shaped geometry to one O(11), one O(3), one O(4), and one O(8) atom. In the second Mn site, Mn(2) is bonded in a 3-coordinate geometry to one O(12), one O(5), one O(7), and one O(9) atom. In the third Mn site, Mn(3) is bonded in a distorted T-shaped geometry to one O(1), one O(12), one O(4), and one O(6) atom. In the fourth Mn site, Mn(4) is bonded in a 3-coordinate geometry to one O(10), one O(2), one O(5), and one O(9) atom. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(7) atom. In the second B site, B(2) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(5) atom. In the third B site, B(3) is bonded in a 3-coordinate geometry to one O(10), one O(11), and one O(8) atom. In the fourth B site, B(4) is bonded in a 3-coordinate geometry to one O(12), one O(6), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Mn(3) and one B(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(4) and one B(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one B(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one B(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one B(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(3) and one B(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one B(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Mn(1) and one B(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Mn(2), one Mn(4), and one B(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Mn(4), and one B(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one B(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Mn(2), one Mn(3), and one B(4) atom. is represented by the CIF file [CIF]
data_LiMn4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.330
_cell_length_b   5.791
_cell_length_c   9.103
_cell_angle_alpha   105.916
_cell_angle_beta   92.952
_cell_angle_gamma   112.196
_symmetry_Int_Tables_number   1
_cell_volume   246.352
_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  0.746  0.522  0.806  1.0
  Mn  Mn1  1  0.747  0.346  0.391  1.0
  Mn  Mn2  1  0.281  0.866  0.890  1.0
  Mn  Mn3  1  0.765  0.150  0.122  1.0
  Mn  Mn4  1  0.227  0.645  0.602  1.0
  B  B5  1  0.791  0.700  0.053  1.0
  B  B6  1  0.272  0.199  0.536  1.0
  B  B7  1  0.712  0.791  0.463  1.0
  B  B8  1  0.225  0.307  0.948  1.0
  O  O9  1  0.622  0.816  0.077  1.0
  O  O10  1  0.095  0.309  0.557  1.0
  O  O11  1  0.389  0.312  0.408  1.0
  O  O12  1  0.831  0.478  0.169  1.0
  O  O13  1  0.299  0.972  0.647  1.0
  O  O14  1  0.119  0.201  0.082  1.0
  O  O15  1  0.885  0.781  0.919  1.0
  O  O16  1  0.678  0.015  0.352  1.0
  O  O17  1  0.131  0.495  0.825  1.0
  O  O18  1  0.602  0.683  0.596  1.0
  O  O19  1  0.887  0.683  0.439  1.0
  O  O20  1  0.445  0.241  0.935  1.0
[/CIF]
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The material described by LiMn4(BO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted single-bond geometry to one O(10), one O(12), one O(7), and one O(9) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted T-shaped geometry to one O(11), one O(3), one O(4), and one O(8) atom. In the second Mn site, Mn(2) is bonded in a 3-coordinate geometry to one O(12), one O(5), one O(7), and one O(9) atom. In the third Mn site, Mn(3) is bonded in a distorted T-shaped geometry to one O(1), one O(12), one O(4), and one O(6) atom. In the fourth Mn site, Mn(4) is bonded in a 3-coordinate geometry to one O(10), one O(2), one O(5), and one O(9) atom. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(7) atom. In the second B site, B(2) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(5) atom. In the third B site, B(3) is bonded in a 3-coordinate geometry to one O(10), one O(11), and one O(8) atom. In the fourth B site, B(4) is bonded in a 3-coordinate geometry to one O(12), one O(6), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Mn(3) and one B(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(4) and one B(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one B(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one B(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one B(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(3) and one B(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one B(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Mn(1) and one B(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Mn(2), one Mn(4), and one B(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Mn(4), and one B(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one B(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Mn(2), one Mn(3), and one B(4) atom. is represented by the CIF file [CIF]
data_LiMn4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.330
_cell_length_b   5.791
_cell_length_c   9.103
_cell_angle_alpha   105.916
_cell_angle_beta   92.952
_cell_angle_gamma   112.196
_symmetry_Int_Tables_number   1
_cell_volume   246.352
_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  0.746  0.522  0.806  1.0
  Mn  Mn1  1  0.747  0.346  0.391  1.0
  Mn  Mn2  1  0.281  0.866  0.890  1.0
  Mn  Mn3  1  0.765  0.150  0.122  1.0
  Mn  Mn4  1  0.227  0.645  0.602  1.0
  B  B5  1  0.791  0.700  0.053  1.0
  B  B6  1  0.272  0.199  0.536  1.0
  B  B7  1  0.712  0.791  0.463  1.0
  B  B8  1  0.225  0.307  0.948  1.0
  O  O9  1  0.622  0.816  0.077  1.0
  O  O10  1  0.095  0.309  0.557  1.0
  O  O11  1  0.389  0.312  0.408  1.0
  O  O12  1  0.831  0.478  0.169  1.0
  O  O13  1  0.299  0.972  0.647  1.0
  O  O14  1  0.119  0.201  0.082  1.0
  O  O15  1  0.885  0.781  0.919  1.0
  O  O16  1  0.678  0.015  0.352  1.0
  O  O17  1  0.131  0.495  0.825  1.0
  O  O18  1  0.602  0.683  0.596  1.0
  O  O19  1  0.887  0.683  0.439  1.0
  O  O20  1  0.445  0.241  0.935  1.0
[/CIF]
.