data_Li15AlGa(IO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93
_cell_length_b   8.98
_cell_length_c   9.05
_cell_angle_alpha   87.26
_cell_angle_beta   89.52
_cell_angle_gamma   89.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li15AlGa(IO3)3
_chemical_formula_sum   'Li30 Al2 Ga2 I6 O18'
_cell_volume   724.43
_cell_formula_units_Z   2
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  0.26  0.1  0.59  1.0
  Li  Li1  1  0.64  0.45  0.38  1.0
  Li  Li2  1  0.03  0.06  0.54  1.0
  Li  Li3  1  0.85  0.91  0.75  1.0
  Li  Li4  1  0.44  0.69  0.35  1.0
  Li  Li5  1  0.9  0.87  0.66  1.0
  Li  Li6  1  0.19  0.92  0.79  1.0
  Li  Li7  1  0.73  0.98  0.58  1.0
  Li  Li8  1  0.02  0.05  0.53  1.0
  Li  Li9  1  0.35  0.02  0.89  1.0
  Li  Li10  1  0.88  0.99  0.38  1.0
  Li  Li11  1  0.77  0.4  0.29  1.0
  Li  Li12  1  0.03  0.05  0.5  1.0
  Li  Li13  1  0.66  0.56  0.38  1.0
  Li  Li14  1  0.84  0.02  0.57  1.0
  Li  Li15  1  0.78  0.12  0.53  1.0
  Li  Li16  1  0.82  0.4  0.6  1.0
  Li  Li17  1  0.49  0.52  0.62  1.0
  Li  Li18  1  0.94  0.85  0.99  1.0
  Li  Li19  1  0.29  0.27  0.78  1.0
  Li  Li20  1  0.28  0.8  0.78  1.0
  Li  Li21  1  0.99  0.6  0.8  1.0
  Li  Li22  1  0.34  0.41  0.1  1.0
  Li  Li23  1  0.91  0.96  0.7  1.0
  Li  Li24  1  0.99  0.6  0.65  1.0
  Li  Li25  1  0.63  0.53  0.39  1.0
  Li  Li26  1  0.56  0.48  0.72  1.0
  Li  Li27  1  0.83  0.56  0.86  1.0
  Li  Li28  1  0.33  0.21  0.18  1.0
  Li  Li29  1  0.27  0.52  0.56  1.0
  Al  Al36  1  0.58  0.31  0.91  1.0
  Al  Al37  1  0.03  0.38  0.04  1.0
  Ga  Ga38  1  0.06  0.21  0.39  1.0
  Ga  Ga39  1  0.54  0.72  0.41  1.0
  I  I30  1  0.91  0.13  0.73  1.0
  I  I31  1  0.39  0.26  0.48  1.0
  I  I32  1  0.37  0.54  0.05  1.0
  I  I33  1  0.13  0.86  0.61  1.0
  I  I34  1  0.19  0.89  0.21  1.0
  I  I35  1  0.29  0.6  0.76  1.0
  O  O40  1  0.48  0.31  0.93  1.0
  O  O41  1  0.75  0.11  0.0  1.0
  O  O42  1  0.64  0.25  0.73  1.0
  O  O43  1  0.6  0.76  0.84  1.0
  O  O44  1  0.03  0.33  0.12  1.0
  O  O45  1  0.88  0.67  0.2  1.0
  O  O46  1  0.96  0.87  0.95  1.0
  O  O47  1  0.73  0.3  0.1  1.0
  O  O48  1  0.68  0.37  0.35  1.0
  O  O49  1  0.02  0.12  0.59  1.0
  O  O50  1  0.05  0.34  0.21  1.0
  O  O51  1  0.72  0.24  0.31  1.0
  O  O52  1  0.72  0.81  0.75  1.0
  O  O53  1  0.58  0.53  0.35  1.0
  O  O54  1  0.7  0.84  0.35  1.0
  O  O55  1  0.67  0.92  0.65  1.0
  O  O56  1  0.86  0.67  0.58  1.0
  O  O57  1  0.68  0.89  0.65  1.0

data_Li15AlGa(IO3)3
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.93
_cell_length_b   8.98
_cell_length_c   9.05
_cell_angle_alpha   87.26
_cell_angle_beta   89.52
_cell_angle_gamma   89.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li15AlGa(IO3)3
_chemical_formula_sum   'Li30 Al2 Ga2 I6 O18'
_cell_volume   724.43
_cell_formula_units_Z   2
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  0.02  0.05  0.53  1.0
  Li  Li1  1  0.03  0.05  0.5  1.0
  Li  Li2  1  0.03  0.06  0.54  1.0
  Li  Li3  1  0.19  0.92  0.79  1.0
  Li  Li4  1  0.26  0.1  0.59  1.0
  Li  Li5  1  0.27  0.52  0.56  1.0
  Li  Li6  1  0.28  0.8  0.78  1.0
  Li  Li7  1  0.29  0.27  0.78  1.0
  Li  Li8  1  0.33  0.21  0.18  1.0
  Li  Li9  1  0.34  0.41  0.1  1.0
  Li  Li10  1  0.35  0.02  0.89  1.0
  Li  Li11  1  0.44  0.69  0.35  1.0
  Li  Li12  1  0.49  0.52  0.62  1.0
  Li  Li13  1  0.56  0.48  0.72  1.0
  Li  Li14  1  0.63  0.53  0.39  1.0
  Li  Li15  1  0.64  0.45  0.38  1.0
  Li  Li16  1  0.66  0.56  0.38  1.0
  Li  Li17  1  0.73  0.98  0.58  1.0
  Li  Li18  1  0.77  0.4  0.29  1.0
  Li  Li19  1  0.78  0.12  0.53  1.0
  Li  Li20  1  0.82  0.4  0.6  1.0
  Li  Li21  1  0.83  0.56  0.86  1.0
  Li  Li22  1  0.84  0.02  0.57  1.0
  Li  Li23  1  0.85  0.91  0.75  1.0
  Li  Li24  1  0.88  0.99  0.38  1.0
  Li  Li25  1  0.9  0.87  0.66  1.0
  Li  Li26  1  0.91  0.96  0.7  1.0
  Li  Li27  1  0.94  0.85  0.99  1.0
  Li  Li28  1  0.99  0.6  0.65  1.0
  Li  Li29  1  0.99  0.6  0.8  1.0
  Al  Al30  1  0.03  0.38  0.04  1.0
  Al  Al31  1  0.58  0.31  0.91  1.0
  Ga  Ga32  1  0.06  0.21  0.39  1.0
  Ga  Ga33  1  0.54  0.72  0.41  1.0
  I  I34  1  0.13  0.86  0.61  1.0
  I  I35  1  0.19  0.89  0.21  1.0
  I  I36  1  0.29  0.6  0.76  1.0
  I  I37  1  0.37  0.54  0.05  1.0
  I  I38  1  0.39  0.26  0.48  1.0
  I  I39  1  0.91  0.13  0.73  1.0
  O  O40  1  0.02  0.12  0.59  1.0
  O  O41  1  0.03  0.33  0.12  1.0
  O  O42  1  0.05  0.34  0.21  1.0
  O  O43  1  0.48  0.31  0.93  1.0
  O  O44  1  0.58  0.53  0.35  1.0
  O  O45  1  0.6  0.76  0.84  1.0
  O  O46  1  0.64  0.25  0.73  1.0
  O  O47  1  0.67  0.92  0.65  1.0
  O  O48  1  0.68  0.89  0.65  1.0
  O  O49  1  0.68  0.37  0.35  1.0
  O  O50  1  0.7  0.84  0.35  1.0
  O  O51  1  0.72  0.24  0.31  1.0
  O  O52  1  0.72  0.81  0.75  1.0
  O  O53  1  0.73  0.3  0.1  1.0
  O  O54  1  0.75  0.11  0.0  1.0
  O  O55  1  0.86  0.67  0.58  1.0
  O  O56  1  0.88  0.67  0.2  1.0
  O  O57  1  0.96  0.87  0.95  1.0

Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Al Al Ga Ga I I I I I I O O O O O O O O O O O O O O O O O O
Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Al Al Ga Ga I I I I I I O O O O O O O O O O O O O O O O O O 0 12 o o o 0 8 o o o 0 2 o o o 0 37 o - o 0 6 o - o 0 49 o o o 0 35 o o o 0 19 o o o 1 25 o o o 1 16 o o o 1 45 o o o 1 48 o o o 2 8 o o o 2 10 - - o 2 32 o o o 2 37 o - o 2 38 o - o 2 49 o o o 3 23 o o o 3 5 o o o 3 52 o o o 4 33 o o o 4 38 o o o 5 23 o o o 5 37 + o o 6 20 o o o 6 9 o + o 6 37 o o o 6 38 o o + 7 57 o o o 7 55 o o o 7 14 o + o 7 10 o o o 8 10 - - o 8 12 o o o 8 32 o o o 8 37 o - o 8 38 o - o 8 49 o o o 9 19 o o o 9 38 o - + 10 54 o o o 10 15 o + o 10 14 o + o 10 12 + + o 10 38 + o o 11 48 o o o 11 16 o o o 11 45 o o o 11 47 o o o 12 32 o o o 12 37 o - o 12 38 o - o 13 25 o o o 13 16 o o o 13 45 o o o 14 15 o o o 14 34 o o o 15 16 o o o 16 48 o o o 16 42 o o o 16 25 o o o 16 26 o o o 16 49 + o o 16 34 o o o 16 56 o o o 16 27 o o o 16 24 o o o 17 26 o o o 17 29 o o o 18 46 o o o 18 38 + o + 18 45 o o + 19 39 o o o 19 29 o o o 19 35 o o o 19 40 o o o 19 30 o o o 20 37 o o o 20 39 o o o 21 27 o o o 21 24 o o o 22 36 o o o 22 28 o o o 23 34 o + o 23 37 + o o 24 56 o o o 25 45 o o o 25 53 o o o 26 42 o o o 28 38 o - o 29 39 o o o 29 35 o o o 30 40 o o o 30 42 o o o 30 47 o o + 31 44 o o o 31 45 - o o 32 49 o o o 32 50 o o o 32 38 o - o 33 38 o o o 33 54 o o o 34 49 + o o 36 38 o o o 37 38 o o o 38 45 - o o 38 46 - o - 41 47 o o o 43 52 o o o 44 50 o o o 45 53 o o o 45 54 o o o 45 50 + o o 45 46 o o - 47 51 o o o 48 51 o o o 52 57 o o o 52 55 o o o 55 57 o o o 
Li15GaAl(O3I)3 crystallizes in the triclinic P1 space group. There are thirty inequivalent Li sites. In the first Li site, Li(1) is bonded in a 1-coordinate geometry to one I(2) atom. The Li(1)-I(2) bond length is 2.10 Å. In the second Li site, Li(2) is bonded in a distorted single-bond geometry to one O(9) atom. The Li(2)-O(9) bond length is 0.90 Å. In the third Li site, Li(3) is bonded in a bent 120 degrees geometry to one Li(9) and one O(10) atom. The Li(3)-Li(9) bond length is 0.16 Å. The Li(3)-O(10) bond length is 0.74 Å. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one Li(24), one Li(6), one O(13), and one O(7) atom. The Li(4)-Li(24) bond length is 0.77 Å. The Li(4)-Li(6) bond length is 0.96 Å. The Li(4)-O(13) bond length is 1.48 Å. The Li(4)-O(7) bond length is 2.13 Å. In the fifth Li site, Li(5) is bonded in a 2-coordinate geometry to one Ga(2), one O(14), and one I(5) atom. The Li(5)-Ga(2) bond length is 1.10 Å. The Li(5)-O(14) bond length is 1.95 Å. The Li(5)-I(5) bond length is 3.09 Å. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one Li(24), one Li(4), one O(17), and one I(4) atom. The Li(6)-Li(24) bond length is 0.83 Å. The Li(6)-O(17) bond length is 2.02 Å. The Li(6)-I(4) bond length is 2.11 Å. In the seventh Li site, Li(7) is bonded in a distorted single-bond geometry to one Li(10) and one I(4) atom. The Li(7)-Li(10) bond length is 1.89 Å. The Li(7)-I(4) bond length is 1.80 Å. In the eighth Li site, Li(8) is bonded in a 1-coordinate geometry to one Li(15) and one O(16) atom. The Li(8)-Li(15) bond length is 1.06 Å. The Li(8)-O(16) bond length is 1.00 Å. In the ninth Li site, Li(9) is bonded in a distorted bent 120 degrees geometry to one Li(13) and one Li(3) atom. The Li(9)-Li(13) bond length is 0.27 Å. In the tenth Li site, Li(10) is bonded in a 1-coordinate geometry to one Li(7) and one I(5) atom. The Li(10)-I(5) bond length is 3.35 Å. In the eleventh Li site, Li(11) is bonded in a distorted single-bond geometry to one O(15) and one I(5) atom. The Li(11)-O(15) bond length is 2.13 Å. The Li(11)-I(5) bond length is 3.34 Å. In the twelfth Li site, Li(12) is bonded in a single-bond geometry to one O(12), one O(8), and one O(9) atom. The Li(12)-O(12) bond length is 1.51 Å. The Li(12)-O(8) bond length is 2.08 Å. The Li(12)-O(9) bond length is 0.97 Å. In the thirteenth Li site, Li(13) is bonded in a single-bond geometry to one Li(9) and one Ga(1) atom. The Li(13)-Ga(1) bond length is 1.78 Å. In the fourteenth Li site, Li(14) is bonded in a single-bond geometry to one Li(26) atom. The Li(14)-Li(26) bond length is 0.37 Å. In the fifteenth Li site, Li(15) is bonded in a 2-coordinate geometry to one Li(16) and one Li(8) atom. The Li(15)-Li(16) bond length is 1.10 Å. In the sixteenth Li site, Li(16) is bonded in a 2-coordinate geometry to one Li(15), one O(12), and one O(3) atom. The Li(16)-O(12) bond length is 2.33 Å. The Li(16)-O(3) bond length is 2.54 Å. In the seventeenth Li site, Li(17) is bonded in a 1-coordinate geometry to one O(3) atom. The Li(17)-O(3) bond length is 2.33 Å. In the eighteenth Li site, Li(18) is bonded in a 2-coordinate geometry to one Li(27) and one I(6) atom. The Li(18)-Li(27) bond length is 1.16 Å. The Li(18)-I(6) bond length is 2.35 Å. In the nineteenth Li site, Li(19) is bonded in a single-bond geometry to one O(6), one O(7), and one I(5) atom. The Li(19)-O(6) bond length is 2.52 Å. The Li(19)-O(7) bond length is 0.37 Å. The Li(19)-I(5) bond length is 3.05 Å. In the twentieth Li site, Li(20) is bonded in a distorted single-bond geometry to one O(1) atom. The Li(20)-O(1) bond length is 2.25 Å. In the twenty-first Li site, Li(21) is bonded in a distorted single-bond geometry to one I(6) atom. The Li(21)-I(6) bond length is 1.77 Å. In the twenty-second Li site, Li(22) is bonded in a 4-coordinate geometry to one Li(25), one Li(28), one Al(2), and one I(6) atom. The Li(22)-Li(25) bond length is 1.43 Å. The Li(22)-Li(28) bond length is 1.59 Å. The Li(22)-Al(2) bond length is 2.84 Å. The Li(22)-I(6) bond length is 2.64 Å. In the twenty-third Li site, Li(23) is bonded in a 2-coordinate geometry to one Li(29), one O(1), and one I(3) atom. The Li(23)-Li(29) bond length is 1.99 Å. The Li(23)-O(1) bond length is 2.19 Å. The Li(23)-I(3) bond length is 1.24 Å. In the twenty-fourth Li site, Li(24) is bonded in a 3-coordinate geometry to one Li(4), one Li(6), and one I(1) atom. The Li(24)-I(1) bond length is 1.57 Å. In the twenty-fifth Li site, Li(25) is bonded in a single-bond geometry to one Li(22) and one O(17) atom. The Li(25)-O(17) bond length is 1.43 Å. In the twenty-sixth Li site, Li(26) is bonded in a single-bond geometry to one Li(14) and one O(14) atom. The Li(26)-O(14) bond length is 0.54 Å. In the twenty-seventh Li site, Li(27) is bonded in a 2-coordinate geometry to one Li(18) and one O(3) atom. The Li(27)-O(3) bond length is 2.16 Å. In the twenty-eighth Li site, Li(28) is bonded in a 2-coordinate geometry to one Li(22) and one O(13) atom. The Li(28)-O(13) bond length is 2.60 Å. In the twenty-ninth Li site, Li(29) is bonded in a 3-coordinate geometry to one Li(23), one I(2), and one I(5) atom. The Li(29)-I(2) bond length is 2.77 Å. The Li(29)-I(5) bond length is 3.10 Å. In the thirtieth Li site, Li(30) is bonded in a 1-coordinate geometry to one I(6) atom. The Li(30)-I(6) bond length is 1.99 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 3-coordinate geometry to one Li(13), one O(10), and one O(11) atom. The Ga(1)-O(10) bond length is 1.97 Å. The Ga(1)-O(11) bond length is 1.97 Å. In the second Ga site, Ga(2) is bonded in a 2-coordinate geometry to one Li(5) and one O(15) atom. The Ga(2)-O(15) bond length is 1.77 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to one O(1), one O(2), one O(3), and one O(8) atom. The Al(1)-O(1) bond length is 0.93 Å. The Al(1)-O(2) bond length is 2.48 Å. The Al(1)-O(3) bond length is 1.84 Å. The Al(1)-O(8) bond length is 2.15 Å. In the second Al site, Al(2) is bonded in a single-bond geometry to one Li(22) and one O(5) atom. The Al(2)-O(5) bond length is 0.80 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(20), one Li(23), and one Al(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Al(1) and one O(8) atom. The O(2)-O(8) bond length is 1.95 Å. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(16), one Li(17), one Li(27), one Al(1), and one I(1) atom. The O(3)-I(1) bond length is 2.63 Å. In the fourth O site, O(4) is bonded in a single-bond geometry to one O(13) atom. The O(4)-O(13) bond length is 1.46 Å. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Al(2) and one O(11) atom. The O(5)-O(11) bond length is 0.85 Å. In the sixth O site, O(6) is bonded in a single-bond geometry to one Li(19) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Li(19) and one Li(4) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Li(12), one Al(1), and one O(2) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one Li(12), one Li(2), and one O(12) atom. The O(9)-O(12) bond length is 1.23 Å. In the tenth O site, O(10) is bonded in a single-bond geometry to one Li(3), one Ga(1), and one I(1) atom. The O(10)-I(1) bond length is 1.58 Å. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Ga(1) and one O(5) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(12), one Li(16), and one O(9) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Li(28), one Li(4), and one O(4) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one Li(26) and one Li(5) atom. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one Li(11) and one Ga(2) atom. In the sixteenth O site, O(16) is bonded in a water-like geometry to one Li(8) and one O(18) atom. The O(16)-O(18) bond length is 0.26 Å. In the seventeenth O site, O(17) is bonded in a 2-coordinate geometry to one Li(25) and one Li(6) atom. In the eighteenth O site, O(18) is bonded in a 1-coordinate geometry to one O(16) atom. There are six inequivalent I sites. In the first I site, I(1) is bonded in a 2-coordinate geometry to one Li(24), one O(10), and one O(3) atom. In the second I site, I(2) is bonded in a 1-coordinate geometry to one Li(1) and one Li(29) atom. In the third I site, I(3) is bonded in a single-bond geometry to one Li(23) atom. In the fourth I site, I(4) is bonded in a 1-coordinate geometry to one Li(6) and one Li(7) atom. In the fifth I site, I(5) is bonded in a 5-coordinate geometry to one Li(10), one Li(11), one Li(19), one Li(29), and one Li(5) atom. In the sixth I site, I(6) is bonded in a distorted bent 120 degrees geometry to one Li(18), one Li(21), one Li(22), and one Li(30) atom.