The crystal structure described by LiBa4(GeO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted see-saw-like geometry to one O(3), one O(4), one O(7), and one O(9) atom. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(12), one O(2), one O(7), two equivalent O(1), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(8), two equivalent O(2), and two equivalent O(6) atoms. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one O(10), one O(4), one O(5), two equivalent O(3), and two equivalent O(7) atoms. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(9), and two equivalent O(8) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(1), one O(11), one O(12), and one O(5) atom to form corner-sharing GeO4 tetrahedra. In the second Ge site, Ge(2) is bonded to one O(11), one O(12), one O(2), and one O(6) atom to form corner-sharing GeO4 tetrahedra. In the third Ge site, Ge(3) is bonded in a rectangular see-saw-like geometry to one O(10), one O(3), one O(7), and one O(9) atom. In the fourth Ge site, Ge(4) is bonded in a tetrahedral geometry to one O(10), one O(4), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Ge(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(4), two equivalent Ba(2), and one Ge(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(1), one Ba(4), two equivalent Ba(3), and one Ge(3) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Li(1), one Ba(3), one Ba(4), and one Ge(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(3), two equivalent Ba(1), and one Ge(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(4), two equivalent Ba(2), and one Ge(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(1), one Ba(1), two equivalent Ba(3), and one Ge(3) atom. In the eighth O site, O(8) is bonded to one Ba(2), two equivalent Ba(4), and one Ge(4) atom to form distorted corner-sharing OBa3Ge tetrahedra. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Ba(4), one Ge(3), and one Ge(4) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Ba(3), one Ge(3), and one Ge(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one Ge(1), and one Ge(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ge(1), and one Ge(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4Li(GeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.715
_cell_length_b   5.942
_cell_length_c   13.010
_cell_angle_alpha   91.671
_cell_angle_beta   90.578
_cell_angle_gamma   89.302
_symmetry_Int_Tables_number   1
_cell_volume   364.250
_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  0.260  0.791  0.853  1.0
  Ba  Ba1  1  0.766  0.672  0.140  1.0
  Ba  Ba2  1  0.701  0.302  0.646  1.0
  Ba  Ba3  1  0.216  0.123  0.340  1.0
  Li  Li4  1  0.157  0.457  0.519  1.0
  Ge  Ge5  1  0.807  0.283  0.924  1.0
  Ge  Ge6  1  0.312  0.187  0.077  1.0
  Ge  Ge7  1  0.201  0.865  0.591  1.0
  Ge  Ge8  1  0.693  0.710  0.436  1.0
  O  O9  1  0.752  0.573  0.909  1.0
  O  O10  1  0.255  0.906  0.107  1.0
  O  O11  1  0.247  0.157  0.544  1.0
  O  O12  1  0.804  0.427  0.431  1.0
  O  O13  1  0.729  0.089  0.825  1.0
  O  O14  1  0.247  0.393  0.172  1.0
  O  O15  1  0.231  0.590  0.663  1.0
  O  O16  1  0.741  0.873  0.326  1.0
  O  O17  1  0.314  0.724  0.461  1.0
  O  O18  1  0.812  0.840  0.557  1.0
  O  O19  1  0.693  0.207  0.052  1.0
  O  O20  1  0.189  0.248  0.948  1.0
[/CIF]
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The crystal structure described by LiBa4(GeO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted see-saw-like geometry to one O(3), one O(4), one O(7), and one O(9) atom. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(12), one O(2), one O(7), two equivalent O(1), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(8), two equivalent O(2), and two equivalent O(6) atoms. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one O(10), one O(4), one O(5), two equivalent O(3), and two equivalent O(7) atoms. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(9), and two equivalent O(8) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(1), one O(11), one O(12), and one O(5) atom to form corner-sharing GeO4 tetrahedra. In the second Ge site, Ge(2) is bonded to one O(11), one O(12), one O(2), and one O(6) atom to form corner-sharing GeO4 tetrahedra. In the third Ge site, Ge(3) is bonded in a rectangular see-saw-like geometry to one O(10), one O(3), one O(7), and one O(9) atom. In the fourth Ge site, Ge(4) is bonded in a tetrahedral geometry to one O(10), one O(4), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Ge(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(4), two equivalent Ba(2), and one Ge(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(1), one Ba(4), two equivalent Ba(3), and one Ge(3) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Li(1), one Ba(3), one Ba(4), and one Ge(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(3), two equivalent Ba(1), and one Ge(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(4), two equivalent Ba(2), and one Ge(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(1), one Ba(1), two equivalent Ba(3), and one Ge(3) atom. In the eighth O site, O(8) is bonded to one Ba(2), two equivalent Ba(4), and one Ge(4) atom to form distorted corner-sharing OBa3Ge tetrahedra. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Ba(4), one Ge(3), and one Ge(4) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Ba(3), one Ge(3), and one Ge(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one Ge(1), and one Ge(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ge(1), and one Ge(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4Li(GeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.715
_cell_length_b   5.942
_cell_length_c   13.010
_cell_angle_alpha   91.671
_cell_angle_beta   90.578
_cell_angle_gamma   89.302
_symmetry_Int_Tables_number   1
_cell_volume   364.250
_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  0.260  0.791  0.853  1.0
  Ba  Ba1  1  0.766  0.672  0.140  1.0
  Ba  Ba2  1  0.701  0.302  0.646  1.0
  Ba  Ba3  1  0.216  0.123  0.340  1.0
  Li  Li4  1  0.157  0.457  0.519  1.0
  Ge  Ge5  1  0.807  0.283  0.924  1.0
  Ge  Ge6  1  0.312  0.187  0.077  1.0
  Ge  Ge7  1  0.201  0.865  0.591  1.0
  Ge  Ge8  1  0.693  0.710  0.436  1.0
  O  O9  1  0.752  0.573  0.909  1.0
  O  O10  1  0.255  0.906  0.107  1.0
  O  O11  1  0.247  0.157  0.544  1.0
  O  O12  1  0.804  0.427  0.431  1.0
  O  O13  1  0.729  0.089  0.825  1.0
  O  O14  1  0.247  0.393  0.172  1.0
  O  O15  1  0.231  0.590  0.663  1.0
  O  O16  1  0.741  0.873  0.326  1.0
  O  O17  1  0.314  0.724  0.461  1.0
  O  O18  1  0.812  0.840  0.557  1.0
  O  O19  1  0.693  0.207  0.052  1.0
  O  O20  1  0.189  0.248  0.948  1.0
[/CIF]
.