The crystal structure described by LiBa2Mn2(P2O7)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(3), one O(7), and one O(8) atom. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), one O(6), one O(9), and two equivalent O(14) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(14), one O(3), one O(4), one O(5), and two equivalent O(13) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(12), one O(2), one O(5), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(5), one O(6), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(12), one O(14), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra and corners with two equivalent Mn(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(11), one O(13), one O(8), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent Mn(1)O5 trigonal bipyramids. In the fourth P site, P(4) is bonded to one O(1), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and  a cornercorner with one Mn(1)O5 trigonal bipyramid. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ba(2), one Mn(2), and one P(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(1), and one P(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Ba(1), one Ba(2), and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one P(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(2), one Mn(1), one Mn(2), and one P(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(1), one Mn(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one P(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Li(1), one P(2), and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Mn(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(2), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(1), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Ba2LiMn2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.501
_cell_length_b   8.453
_cell_length_c   7.579
_cell_angle_alpha   105.221
_cell_angle_beta   93.064
_cell_angle_gamma   93.247
_symmetry_Int_Tables_number   1
_cell_volume   338.663
_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
  Ba  Ba0  1  0.186  0.771  0.950  1.0
  Ba  Ba1  1  0.794  0.212  0.045  1.0
  Li  Li2  1  0.938  0.048  0.560  1.0
  Mn  Mn3  1  0.188  0.600  0.397  1.0
  Mn  Mn4  1  0.801  0.372  0.598  1.0
  P  P5  1  0.691  0.721  0.210  1.0
  P  P6  1  0.309  0.304  0.791  1.0
  P  P7  1  0.715  0.783  0.610  1.0
  P  P8  1  0.281  0.212  0.379  1.0
  O  O9  1  0.542  0.278  0.363  1.0
  O  O10  1  0.447  0.730  0.622  1.0
  O  O11  1  0.824  0.936  0.753  1.0
  O  O12  1  0.184  0.052  0.244  1.0
  O  O13  1  0.101  0.350  0.381  1.0
  O  O14  1  0.888  0.642  0.592  1.0
  O  O15  1  0.736  0.844  0.421  1.0
  O  O16  1  0.274  0.173  0.581  1.0
  O  O17  1  0.116  0.430  0.799  1.0
  O  O18  1  0.907  0.611  0.189  1.0
  O  O19  1  0.569  0.385  0.812  1.0
  O  O20  1  0.440  0.630  0.205  1.0
  O  O21  1  0.275  0.192  0.917  1.0
  O  O22  1  0.693  0.832  0.081  1.0
[/CIF]
.
The crystal structure described by LiBa2Mn2(P2O7)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(3), one O(7), and one O(8) atom. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), one O(6), one O(9), and two equivalent O(14) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(14), one O(3), one O(4), one O(5), and two equivalent O(13) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(12), one O(2), one O(5), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(5), one O(6), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(12), one O(14), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra and corners with two equivalent Mn(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(11), one O(13), one O(8), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent Mn(1)O5 trigonal bipyramids. In the fourth P site, P(4) is bonded to one O(1), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and  a cornercorner with one Mn(1)O5 trigonal bipyramid. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ba(2), one Mn(2), and one P(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(1), and one P(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Ba(1), one Ba(2), and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one P(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(2), one Mn(1), one Mn(2), and one P(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(1), one Mn(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one P(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Li(1), one P(2), and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Mn(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(2), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(1), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Ba2LiMn2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.501
_cell_length_b   8.453
_cell_length_c   7.579
_cell_angle_alpha   105.221
_cell_angle_beta   93.064
_cell_angle_gamma   93.247
_symmetry_Int_Tables_number   1
_cell_volume   338.663
_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
  Ba  Ba0  1  0.186  0.771  0.950  1.0
  Ba  Ba1  1  0.794  0.212  0.045  1.0
  Li  Li2  1  0.938  0.048  0.560  1.0
  Mn  Mn3  1  0.188  0.600  0.397  1.0
  Mn  Mn4  1  0.801  0.372  0.598  1.0
  P  P5  1  0.691  0.721  0.210  1.0
  P  P6  1  0.309  0.304  0.791  1.0
  P  P7  1  0.715  0.783  0.610  1.0
  P  P8  1  0.281  0.212  0.379  1.0
  O  O9  1  0.542  0.278  0.363  1.0
  O  O10  1  0.447  0.730  0.622  1.0
  O  O11  1  0.824  0.936  0.753  1.0
  O  O12  1  0.184  0.052  0.244  1.0
  O  O13  1  0.101  0.350  0.381  1.0
  O  O14  1  0.888  0.642  0.592  1.0
  O  O15  1  0.736  0.844  0.421  1.0
  O  O16  1  0.274  0.173  0.581  1.0
  O  O17  1  0.116  0.430  0.799  1.0
  O  O18  1  0.907  0.611  0.189  1.0
  O  O19  1  0.569  0.385  0.812  1.0
  O  O20  1  0.440  0.630  0.205  1.0
  O  O21  1  0.275  0.192  0.917  1.0
  O  O22  1  0.693  0.832  0.081  1.0
[/CIF]
.