The material described by Li3Ba2La3(MoO4)8 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(13), one O(14), one O(17), one O(18), and one O(2) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(15), one O(16), one O(19), one O(20), one O(3), and one O(4) atom. In the third Li site, Li(3) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(21), one O(25), one O(27), one O(29), one O(31), and one O(6) atom. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(13), one O(14), one O(17), one O(18), one O(2), one O(21), one O(22), one O(5), and one O(6) atom. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(15), one O(16), one O(19), one O(20), one O(23), one O(24), one O(3), one O(4), one O(7), and one O(8) atom. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(11), one O(22), one O(26), one O(28), one O(30), one O(32), one O(5), and one O(9) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(23), one O(25), one O(27), one O(29), one O(31), and one O(8) atom. In the third La site, La(3) is bonded in a 8-coordinate geometry to one O(11), one O(24), one O(26), one O(28), one O(30), one O(32), one O(7), and one O(9) atom. There are eight inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to one O(17), one O(21), one O(25), and one O(29) atom. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to one O(18), one O(22), one O(26), and one O(30) atom. In the third Mo site, Mo(3) is bonded in a tetrahedral geometry to one O(19), one O(23), one O(27), and one O(31) atom. In the fourth Mo site, Mo(4) is bonded in a tetrahedral geometry to one O(20), one O(24), one O(28), and one O(32) atom. In the fifth Mo site, Mo(5) is bonded in a tetrahedral geometry to one O(1), one O(13), one O(5), and one O(9) atom. In the sixth Mo site, Mo(6) is bonded in a tetrahedral geometry to one O(10), one O(14), one O(2), and one O(6) atom. In the seventh Mo site, Mo(7) is bonded in a tetrahedral geometry to one O(11), one O(15), one O(3), and one O(7) atom. In the eighth Mo site, Mo(8) is bonded in a tetrahedral geometry to one O(12), one O(16), one O(4), and one O(8) atom. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one Ba(1), and one Mo(5) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Ba(1), and one Mo(6) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Li(2), one Ba(2), and one Mo(7) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Ba(2), and one Mo(8) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one La(1), and one Mo(5) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Ba(1), and one Mo(6) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one La(3), and one Mo(7) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ba(2), one La(2), and one Mo(8) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one La(1), one La(3), and one Mo(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one La(2), and one Mo(6) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one La(1), one La(3), and one Mo(7) atom. In the twelfth O site, O(12) is bonded in a 1-coordinate geometry to one Li(3), one La(2), and one Mo(8) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(1), one Ba(1), and one Mo(5) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Li(1), one Ba(1), and one Mo(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(2), one Ba(2), and one Mo(7) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one Li(2), one Ba(2), and one Mo(8) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(1), one Ba(1), and one Mo(1) atom. In the eighteenth O site, O(18) is bonded in a 2-coordinate geometry to one Li(1), one Ba(1), and one Mo(2) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(2), one Ba(2), and one Mo(3) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one Li(2), one Ba(2), and one Mo(4) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(3), one Ba(1), and one Mo(1) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one La(1), and one Mo(2) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Ba(2), one La(2), and one Mo(3) atom. In the twenty-fourth O site, O(24) is bonded in a 2-coordinate geometry to one Ba(2), one La(3), and one Mo(4) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Li(3), one La(2), and one Mo(1) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one La(1), one La(3), and one Mo(2) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one Li(3), one La(2), and one Mo(3) atom. In the twenty-eighth O site, O(28) is bonded in a distorted trigonal planar geometry to one La(1), one La(3), and one Mo(4) atom. In the twenty-ninth O site, O(29) is bonded in a 2-coordinate geometry to one Li(3), one La(2), and one Mo(1) atom. In the thirtieth O site, O(30) is bonded in a distorted trigonal planar geometry to one La(1), one La(3), and one Mo(2) atom. In the thirty-first O site, O(31) is bonded in a 1-coordinate geometry to one Li(3), one La(2), and one Mo(3) atom. In the thirty-second O site, O(32) is bonded in a distorted trigonal planar geometry to one La(1), one La(3), and one Mo(4) atom. is represented by the CIF card [CIF]
data_Ba2Li3La3(MoO4)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.411
_cell_length_b   7.126
_cell_length_c   19.509
_cell_angle_alpha   89.283
_cell_angle_beta   89.652
_cell_angle_gamma   68.114
_symmetry_Int_Tables_number   1
_cell_volume   697.958
_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  0.968  0.057  0.765  1.0
  Ba  Ba1  1  0.030  0.945  0.238  1.0
  Li  Li2  1  0.689  0.627  0.758  1.0
  Li  Li3  1  0.313  0.371  0.243  1.0
  Li  Li4  1  0.850  0.289  0.963  1.0
  La  La5  1  0.857  0.294  0.537  1.0
  La  La6  1  0.147  0.709  0.028  1.0
  La  La7  1  0.143  0.707  0.465  1.0
  Mo  Mo8  1  0.562  0.883  0.905  1.0
  Mo  Mo9  1  0.556  0.877  0.595  1.0
  Mo  Mo10  1  0.434  0.121  0.093  1.0
  Mo  Mo11  1  0.444  0.122  0.405  1.0
  Mo  Mo12  1  0.274  0.475  0.657  1.0
  Mo  Mo13  1  0.262  0.472  0.846  1.0
  Mo  Mo14  1  0.727  0.525  0.344  1.0
  Mo  Mo15  1  0.741  0.525  0.154  1.0
  O  O16  1  0.291  0.709  0.679  1.0
  O  O17  1  0.001  0.695  0.816  1.0
  O  O18  1  0.707  0.292  0.320  1.0
  O  O19  1  0.998  0.301  0.185  1.0
  O  O20  1  0.606  0.287  0.638  1.0
  O  O21  1  0.112  0.288  0.857  1.0
  O  O22  1  0.395  0.712  0.361  1.0
  O  O23  1  0.897  0.708  0.142  1.0
  O  O24  1  0.102  0.513  0.572  1.0
  O  O25  1  0.391  0.517  0.927  1.0
  O  O26  1  0.900  0.486  0.428  1.0
  O  O27  1  0.607  0.489  0.074  1.0
  O  O28  1  0.061  0.398  0.710  1.0
  O  O29  1  0.518  0.403  0.779  1.0
  O  O30  1  0.935  0.602  0.289  1.0
  O  O31  1  0.478  0.597  0.219  1.0
  O  O32  1  0.455  0.828  0.823  1.0
  O  O33  1  0.719  0.822  0.675  1.0
  O  O34  1  0.544  0.172  0.176  1.0
  O  O35  1  0.281  0.178  0.325  1.0
  O  O36  1  0.692  0.078  0.892  1.0
  O  O37  1  0.235  0.074  0.606  1.0
  O  O38  1  0.302  0.923  0.108  1.0
  O  O39  1  0.766  0.925  0.394  1.0
  O  O40  1  0.272  0.962  0.961  1.0
  O  O41  1  0.768  0.963  0.539  1.0
  O  O42  1  0.728  0.030  0.041  1.0
  O  O43  1  0.232  0.037  0.461  1.0
  O  O44  1  0.812  0.672  0.950  1.0
  O  O45  1  0.529  0.663  0.548  1.0
  O  O46  1  0.193  0.341  0.053  1.0
  O  O47  1  0.472  0.337  0.452  1.0
[/CIF]
.
The material described by Li3Ba2La3(MoO4)8 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(13), one O(14), one O(17), one O(18), and one O(2) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(15), one O(16), one O(19), one O(20), one O(3), and one O(4) atom. In the third Li site, Li(3) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(21), one O(25), one O(27), one O(29), one O(31), and one O(6) atom. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(13), one O(14), one O(17), one O(18), one O(2), one O(21), one O(22), one O(5), and one O(6) atom. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(15), one O(16), one O(19), one O(20), one O(23), one O(24), one O(3), one O(4), one O(7), and one O(8) atom. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(11), one O(22), one O(26), one O(28), one O(30), one O(32), one O(5), and one O(9) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(23), one O(25), one O(27), one O(29), one O(31), and one O(8) atom. In the third La site, La(3) is bonded in a 8-coordinate geometry to one O(11), one O(24), one O(26), one O(28), one O(30), one O(32), one O(7), and one O(9) atom. There are eight inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to one O(17), one O(21), one O(25), and one O(29) atom. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to one O(18), one O(22), one O(26), and one O(30) atom. In the third Mo site, Mo(3) is bonded in a tetrahedral geometry to one O(19), one O(23), one O(27), and one O(31) atom. In the fourth Mo site, Mo(4) is bonded in a tetrahedral geometry to one O(20), one O(24), one O(28), and one O(32) atom. In the fifth Mo site, Mo(5) is bonded in a tetrahedral geometry to one O(1), one O(13), one O(5), and one O(9) atom. In the sixth Mo site, Mo(6) is bonded in a tetrahedral geometry to one O(10), one O(14), one O(2), and one O(6) atom. In the seventh Mo site, Mo(7) is bonded in a tetrahedral geometry to one O(11), one O(15), one O(3), and one O(7) atom. In the eighth Mo site, Mo(8) is bonded in a tetrahedral geometry to one O(12), one O(16), one O(4), and one O(8) atom. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one Ba(1), and one Mo(5) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Ba(1), and one Mo(6) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Li(2), one Ba(2), and one Mo(7) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Ba(2), and one Mo(8) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one La(1), and one Mo(5) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Ba(1), and one Mo(6) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one La(3), and one Mo(7) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ba(2), one La(2), and one Mo(8) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one La(1), one La(3), and one Mo(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one La(2), and one Mo(6) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one La(1), one La(3), and one Mo(7) atom. In the twelfth O site, O(12) is bonded in a 1-coordinate geometry to one Li(3), one La(2), and one Mo(8) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(1), one Ba(1), and one Mo(5) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Li(1), one Ba(1), and one Mo(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(2), one Ba(2), and one Mo(7) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one Li(2), one Ba(2), and one Mo(8) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(1), one Ba(1), and one Mo(1) atom. In the eighteenth O site, O(18) is bonded in a 2-coordinate geometry to one Li(1), one Ba(1), and one Mo(2) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(2), one Ba(2), and one Mo(3) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one Li(2), one Ba(2), and one Mo(4) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(3), one Ba(1), and one Mo(1) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one La(1), and one Mo(2) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Ba(2), one La(2), and one Mo(3) atom. In the twenty-fourth O site, O(24) is bonded in a 2-coordinate geometry to one Ba(2), one La(3), and one Mo(4) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Li(3), one La(2), and one Mo(1) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one La(1), one La(3), and one Mo(2) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one Li(3), one La(2), and one Mo(3) atom. In the twenty-eighth O site, O(28) is bonded in a distorted trigonal planar geometry to one La(1), one La(3), and one Mo(4) atom. In the twenty-ninth O site, O(29) is bonded in a 2-coordinate geometry to one Li(3), one La(2), and one Mo(1) atom. In the thirtieth O site, O(30) is bonded in a distorted trigonal planar geometry to one La(1), one La(3), and one Mo(2) atom. In the thirty-first O site, O(31) is bonded in a 1-coordinate geometry to one Li(3), one La(2), and one Mo(3) atom. In the thirty-second O site, O(32) is bonded in a distorted trigonal planar geometry to one La(1), one La(3), and one Mo(4) atom. is represented by the CIF card [CIF]
data_Ba2Li3La3(MoO4)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.411
_cell_length_b   7.126
_cell_length_c   19.509
_cell_angle_alpha   89.283
_cell_angle_beta   89.652
_cell_angle_gamma   68.114
_symmetry_Int_Tables_number   1
_cell_volume   697.958
_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  0.968  0.057  0.765  1.0
  Ba  Ba1  1  0.030  0.945  0.238  1.0
  Li  Li2  1  0.689  0.627  0.758  1.0
  Li  Li3  1  0.313  0.371  0.243  1.0
  Li  Li4  1  0.850  0.289  0.963  1.0
  La  La5  1  0.857  0.294  0.537  1.0
  La  La6  1  0.147  0.709  0.028  1.0
  La  La7  1  0.143  0.707  0.465  1.0
  Mo  Mo8  1  0.562  0.883  0.905  1.0
  Mo  Mo9  1  0.556  0.877  0.595  1.0
  Mo  Mo10  1  0.434  0.121  0.093  1.0
  Mo  Mo11  1  0.444  0.122  0.405  1.0
  Mo  Mo12  1  0.274  0.475  0.657  1.0
  Mo  Mo13  1  0.262  0.472  0.846  1.0
  Mo  Mo14  1  0.727  0.525  0.344  1.0
  Mo  Mo15  1  0.741  0.525  0.154  1.0
  O  O16  1  0.291  0.709  0.679  1.0
  O  O17  1  0.001  0.695  0.816  1.0
  O  O18  1  0.707  0.292  0.320  1.0
  O  O19  1  0.998  0.301  0.185  1.0
  O  O20  1  0.606  0.287  0.638  1.0
  O  O21  1  0.112  0.288  0.857  1.0
  O  O22  1  0.395  0.712  0.361  1.0
  O  O23  1  0.897  0.708  0.142  1.0
  O  O24  1  0.102  0.513  0.572  1.0
  O  O25  1  0.391  0.517  0.927  1.0
  O  O26  1  0.900  0.486  0.428  1.0
  O  O27  1  0.607  0.489  0.074  1.0
  O  O28  1  0.061  0.398  0.710  1.0
  O  O29  1  0.518  0.403  0.779  1.0
  O  O30  1  0.935  0.602  0.289  1.0
  O  O31  1  0.478  0.597  0.219  1.0
  O  O32  1  0.455  0.828  0.823  1.0
  O  O33  1  0.719  0.822  0.675  1.0
  O  O34  1  0.544  0.172  0.176  1.0
  O  O35  1  0.281  0.178  0.325  1.0
  O  O36  1  0.692  0.078  0.892  1.0
  O  O37  1  0.235  0.074  0.606  1.0
  O  O38  1  0.302  0.923  0.108  1.0
  O  O39  1  0.766  0.925  0.394  1.0
  O  O40  1  0.272  0.962  0.961  1.0
  O  O41  1  0.768  0.963  0.539  1.0
  O  O42  1  0.728  0.030  0.041  1.0
  O  O43  1  0.232  0.037  0.461  1.0
  O  O44  1  0.812  0.672  0.950  1.0
  O  O45  1  0.529  0.663  0.548  1.0
  O  O46  1  0.193  0.341  0.053  1.0
  O  O47  1  0.472  0.337  0.452  1.0
[/CIF]
.