data_Na3LiSbP2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33
_cell_length_b   9.5
_cell_length_c   12.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3LiSbP2O9
_chemical_formula_sum   'Na12 Li4 Sb4 P8 O36'
_cell_volume   885.58
_cell_formula_units_Z   4
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
  Na  Na0  1  0.04  0.02  0.9  1.0
  Na  Na1  1  0.15  0.3  0.75  1.0
  Na  Na2  1  0.72  0.56  0.38  1.0
  Na  Na3  1  0.94  0.94  0.02  1.0
  Na  Na4  1  0.51  0.2  0.39  1.0
  Na  Na5  1  0.62  0.48  0.26  1.0
  Na  Na6  1  0.71  0.73  0.83  1.0
  Na  Na7  1  0.81  0.45  0.98  1.0
  Na  Na8  1  0.38  0.69  0.35  1.0
  Na  Na9  1  0.6  0.81  0.71  1.0
  Na  Na10  1  0.18  0.05  0.34  1.0
  Na  Na11  1  0.28  0.77  0.46  1.0
  Li  Li12  1  0.71  0.3  0.1  1.0
  Li  Li13  1  0.96  0.2  0.47  1.0
  Li  Li14  1  0.37  0.95  0.63  1.0
  Li  Li15  1  0.62  0.55  0.26  1.0
  Sb  Sb16  1  0.13  0.16  0.68  1.0
  Sb  Sb17  1  0.53  0.34  0.31  1.0
  Sb  Sb18  1  0.79  0.09  0.05  1.0
  Sb  Sb19  1  0.2  0.41  0.41  1.0
  P  P20  1  0.62  0.55  0.7  1.0
  P  P21  1  0.71  0.12  0.36  1.0
  P  P22  1  0.96  0.38  0.72  1.0
  P  P23  1  0.05  0.95  0.06  1.0
  P  P24  1  0.28  0.2  0.03  1.0
  P  P25  1  0.37  0.13  0.37  1.0
  P  P26  1  0.62  0.37  0.01  1.0
  P  P27  1  0.71  0.3  0.67  1.0
  O  O28  1  0.42  0.71  0.31  1.0
  O  O29  1  0.36  0.26  0.93  1.0
  O  O30  1  0.7  0.47  0.68  1.0
  O  O31  1  0.76  0.22  0.55  1.0
  O  O32  1  0.38  0.06  1.0  1.0
  O  O33  1  0.73  0.95  0.14  1.0
  O  O34  1  0.77  0.64  0.7  1.0
  O  O35  1  0.64  0.33  0.19  1.0
  O  O36  1  0.88  0.1  0.22  1.0
  O  O37  1  0.78  0.4  0.86  1.0
  O  O38  1  0.02  0.17  0.55  1.0
  O  O39  1  0.89  0.86  0.06  1.0
  O  O40  1  0.93  0.55  0.78  1.0
  O  O41  1  0.28  0.44  0.36  1.0
  O  O42  1  0.91  0.28  0.19  1.0
  O  O43  1  0.97  0.03  0.32  1.0
  O  O44  1  0.3  0.24  0.3  1.0
  O  O45  1  0.24  0.79  0.68  1.0
  O  O46  1  0.08  0.04  0.42  1.0
  O  O47  1  0.03  0.49  0.8  1.0
  O  O48  1  0.36  0.78  0.05  1.0
  O  O49  1  0.42  0.03  0.17  1.0
  O  O50  1  0.04  0.19  0.73  1.0
  O  O51  1  0.4  0.8  0.59  1.0
  O  O52  1  0.44  0.61  0.03  1.0
  O  O53  1  0.3  0.42  0.54  1.0
  O  O54  1  0.54  0.65  0.51  1.0
  O  O55  1  0.45  0.85  0.87  1.0
  O  O56  1  0.68  0.07  0.18  1.0
  O  O57  1  0.55  0.89  0.66  1.0
  O  O58  1  0.59  0.7  0.95  1.0
  O  O59  1  0.94  0.31  0.37  1.0
  O  O60  1  0.57  0.47  0.54  1.0
  O  O61  1  0.63  0.72  0.41  1.0
  O  O62  1  0.96  0.01  0.43  1.0
  O  O63  1  0.9  0.46  0.05  1.0

data_Na3LiSbP2O9
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.33
_cell_length_b   9.5
_cell_length_c   12.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3LiSbP2O9
_chemical_formula_sum   'Na12 Li4 Sb4 P8 O36'
_cell_volume   885.58
_cell_formula_units_Z   4
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
  Na  Na0  1  0.04  0.02  0.9  1.0
  Na  Na1  1  0.15  0.3  0.75  1.0
  Na  Na2  1  0.18  0.05  0.34  1.0
  Na  Na3  1  0.28  0.77  0.46  1.0
  Na  Na4  1  0.38  0.69  0.35  1.0
  Na  Na5  1  0.51  0.2  0.39  1.0
  Na  Na6  1  0.6  0.81  0.71  1.0
  Na  Na7  1  0.62  0.48  0.26  1.0
  Na  Na8  1  0.71  0.73  0.83  1.0
  Na  Na9  1  0.72  0.56  0.38  1.0
  Na  Na10  1  0.81  0.45  0.98  1.0
  Na  Na11  1  0.94  0.94  0.02  1.0
  Li  Li12  1  0.37  0.95  0.63  1.0
  Li  Li13  1  0.62  0.55  0.26  1.0
  Li  Li14  1  0.71  0.3  0.1  1.0
  Li  Li15  1  0.96  0.2  0.47  1.0
  Sb  Sb16  1  0.13  0.16  0.68  1.0
  Sb  Sb17  1  0.2  0.41  0.41  1.0
  Sb  Sb18  1  0.53  0.34  0.31  1.0
  Sb  Sb19  1  0.79  0.09  0.05  1.0
  P  P20  1  0.05  0.95  0.06  1.0
  P  P21  1  0.28  0.2  0.03  1.0
  P  P22  1  0.37  0.13  0.37  1.0
  P  P23  1  0.62  0.55  0.7  1.0
  P  P24  1  0.62  0.37  0.01  1.0
  P  P25  1  0.71  0.12  0.36  1.0
  P  P26  1  0.71  0.3  0.67  1.0
  P  P27  1  0.96  0.38  0.72  1.0
  O  O28  1  0.02  0.17  0.55  1.0
  O  O29  1  0.03  0.49  0.8  1.0
  O  O30  1  0.04  0.19  0.73  1.0
  O  O31  1  0.08  0.04  0.42  1.0
  O  O32  1  0.24  0.79  0.68  1.0
  O  O33  1  0.28  0.44  0.36  1.0
  O  O34  1  0.3  0.24  0.3  1.0
  O  O35  1  0.3  0.42  0.54  1.0
  O  O36  1  0.36  0.78  0.05  1.0
  O  O37  1  0.36  0.26  0.93  1.0
  O  O38  1  0.38  0.06  1.0  1.0
  O  O39  1  0.4  0.8  0.59  1.0
  O  O40  1  0.42  0.03  0.17  1.0
  O  O41  1  0.42  0.71  0.31  1.0
  O  O42  1  0.44  0.61  0.03  1.0
  O  O43  1  0.45  0.85  0.87  1.0
  O  O44  1  0.54  0.65  0.51  1.0
  O  O45  1  0.55  0.89  0.66  1.0
  O  O46  1  0.57  0.47  0.54  1.0
  O  O47  1  0.59  0.7  0.95  1.0
  O  O48  1  0.63  0.72  0.41  1.0
  O  O49  1  0.64  0.33  0.19  1.0
  O  O50  1  0.68  0.07  0.18  1.0
  O  O51  1  0.7  0.47  0.68  1.0
  O  O52  1  0.73  0.95  0.14  1.0
  O  O53  1  0.76  0.22  0.55  1.0
  O  O54  1  0.77  0.64  0.7  1.0
  O  O55  1  0.78  0.4  0.86  1.0
  O  O56  1  0.88  0.1  0.22  1.0
  O  O57  1  0.89  0.86  0.06  1.0
  O  O58  1  0.9  0.46  0.05  1.0
  O  O59  1  0.91  0.28  0.19  1.0
  O  O60  1  0.93  0.55  0.78  1.0
  O  O61  1  0.94  0.31  0.37  1.0
  O  O62  1  0.96  0.01  0.43  1.0
  O  O63  1  0.97  0.03  0.32  1.0

Na Na Na Na Na Na Na Na Na Na Na Na Li Li Li Li Sb Sb Sb Sb P P P P P P P P O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O
Na3LiSbP2O9 crystallizes in the triclinic P1 space group. There are twelve inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one Na(4), one Sb(3), one P(4), one P(5), one O(23), and one O(5) atom. The Na(1)-Na(4) bond length is 1.84 Å. The Na(1)-Sb(3) bond length is 2.73 Å. The Na(1)-P(4) bond length is 2.18 Å. The Na(1)-P(5) bond length is 2.92 Å. The Na(1)-O(23) bond length is 2.66 Å. The Na(1)-O(5) bond length is 2.78 Å. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one Sb(1), one P(3), one O(2), one O(20), and one O(23) atom. The Na(2)-Sb(1) bond length is 1.61 Å. The Na(2)-P(3) bond length is 1.66 Å. The Na(2)-O(2) bond length is 2.82 Å. The Na(2)-O(20) bond length is 2.14 Å. The Na(2)-O(23) bond length is 1.31 Å. In the third Na site, Na(3) is bonded in a 1-coordinate geometry to one O(27), one O(33), and one O(34) atom. The Na(3)-O(27) bond length is 2.25 Å. The Na(3)-O(33) bond length is 2.44 Å. The Na(3)-O(34) bond length is 1.72 Å. In the fourth Na site, Na(4) is bonded in a distorted L-shaped geometry to one Na(1), one Sb(3), one P(4), and one O(12) atom. The Na(4)-Sb(3) bond length is 1.83 Å. The Na(4)-P(4) bond length is 0.97 Å. The Na(4)-O(12) bond length is 1.03 Å. In the fifth Na site, Na(5) is bonded in a distorted trigonal non-coplanar geometry to one Sb(2), one P(2), and one P(6) atom. The Na(5)-Sb(2) bond length is 1.61 Å. The Na(5)-P(2) bond length is 1.66 Å. The Na(5)-P(6) bond length is 1.26 Å. In the sixth Na site, Na(6) is bonded in a 3-coordinate geometry to one Li(4), one Sb(2), and one O(8) atom. The Na(6)-Li(4) bond length is 0.67 Å. The Na(6)-Sb(2) bond length is 1.57 Å. The Na(6)-O(8) bond length is 1.73 Å. In the seventh Na site, Na(7) is bonded in a 2-coordinate geometry to one O(13), one O(28), one O(31), and one O(7) atom. The Na(7)-O(13) bond length is 2.45 Å. The Na(7)-O(28) bond length is 2.31 Å. The Na(7)-O(31) bond length is 1.81 Å. The Na(7)-O(7) bond length is 1.91 Å. In the eighth Na site, Na(8) is bonded in a 3-coordinate geometry to one P(7), one O(10), and one O(36) atom. The Na(8)-P(7) bond length is 1.66 Å. The Na(8)-O(10) bond length is 1.64 Å. The Na(8)-O(36) bond length is 1.17 Å. In the ninth Na site, Na(9) is bonded in a single-bond geometry to one O(1), one O(27), and one O(34) atom. The Na(9)-O(1) bond length is 0.55 Å. The Na(9)-O(27) bond length is 2.38 Å. The Na(9)-O(34) bond length is 1.99 Å. In the tenth Na site, Na(10) is bonded in a distorted single-bond geometry to one O(28) and one O(30) atom. The Na(10)-O(28) bond length is 2.38 Å. The Na(10)-O(30) bond length is 1.03 Å. In the eleventh Na site, Na(11) is bonded in a distorted single-bond geometry to one P(6), one O(16), one O(19), and one O(22) atom. The Na(11)-P(6) bond length is 1.66 Å. The Na(11)-O(16) bond length is 1.57 Å. The Na(11)-O(19) bond length is 1.17 Å. The Na(11)-O(22) bond length is 2.78 Å. In the twelfth Na site, Na(12) is bonded in a distorted single-bond geometry to one O(24) and one O(27) atom. The Na(12)-O(24) bond length is 1.81 Å. The Na(12)-O(27) bond length is 2.31 Å. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 1-coordinate geometry to one Sb(3), one P(7), one O(15), one O(29), and one O(8) atom. The Li(1)-Sb(3) bond length is 2.17 Å. The Li(1)-P(7) bond length is 1.52 Å. The Li(1)-O(15) bond length is 1.86 Å. The Li(1)-O(29) bond length is 2.31 Å. The Li(1)-O(8) bond length is 1.23 Å. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(11), one O(32), one O(35), and one O(4) atom. The Li(2)-O(11) bond length is 1.23 Å. The Li(2)-O(32) bond length is 1.60 Å. The Li(2)-O(35) bond length is 1.93 Å. The Li(2)-O(4) bond length is 1.86 Å. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one Sb(1), one O(18), one O(24), and one O(30) atom. The Li(3)-Sb(1) bond length is 2.72 Å. The Li(3)-O(18) bond length is 1.90 Å. The Li(3)-O(24) bond length is 1.55 Å. The Li(3)-O(30) bond length is 1.55 Å. In the fourth Li site, Li(4) is bonded in a 2-coordinate geometry to one Na(6) and one O(1) atom. The Li(4)-O(1) bond length is 2.21 Å. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 1-coordinate geometry to one Na(2), one Li(3), and one O(23) atom. The Sb(1)-O(23) bond length is 0.96 Å. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one Na(5), one Na(6), one O(14), one O(17), and one O(8) atom. The Sb(2)-O(14) bond length is 2.17 Å. The Sb(2)-O(17) bond length is 1.96 Å. The Sb(2)-O(8) bond length is 1.79 Å. In the third Sb site, Sb(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Li(1), one O(29), one O(6), and one O(9) atom. The Sb(3)-O(29) bond length is 1.79 Å. The Sb(3)-O(6) bond length is 1.79 Å. The Sb(3)-O(9) bond length is 2.27 Å. In the fourth Sb site, Sb(4) is bonded in a distorted single-bond geometry to one O(14) and one O(26) atom. The Sb(4)-O(14) bond length is 0.96 Å. The Sb(4)-O(26) bond length is 1.79 Å. There are eight inequivalent P sites. In the first P site, P(1) is bonded in an L-shaped geometry to one O(3), one O(33), and one O(7) atom. The P(1)-O(3) bond length is 0.99 Å. The P(1)-O(33) bond length is 2.20 Å. The P(1)-O(7) bond length is 1.43 Å. In the second P site, P(2) is bonded in a distorted single-bond geometry to one Na(5), one O(29), and one O(9) atom. The P(2)-O(29) bond length is 2.35 Å. The P(2)-O(9) bond length is 2.15 Å. In the third P site, P(3) is bonded in a 2-coordinate geometry to one Na(2), one O(13), and one O(20) atom. The P(3)-O(13) bond length is 1.73 Å. The P(3)-O(20) bond length is 1.50 Å. In the fourth P site, P(4) is bonded in a single-bond geometry to one Na(1) and one Na(4) atom. In the fifth P site, P(5) is bonded in an L-shaped geometry to one Na(1), one O(2), and one O(5) atom. The P(5)-O(2) bond length is 1.48 Å. The P(5)-O(5) bond length is 1.61 Å. In the sixth P site, P(6) is bonded in a T-shaped geometry to one Na(11), one Na(5), and one O(17) atom. The P(6)-O(17) bond length is 1.50 Å. In the seventh P site, P(7) is bonded in a distorted L-shaped geometry to one Na(8), one Li(1), and one O(2) atom. The P(7)-O(2) bond length is 2.36 Å. In the eighth P site, P(8) is bonded in a bent 120 degrees geometry to one O(3) and one O(4) atom. The P(8)-O(3) bond length is 1.63 Å. The P(8)-O(4) bond length is 1.64 Å. There are thirty-six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Na(9) and one Li(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Na(2), one P(5), and one P(7) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one P(1) and one P(8) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(2) and one P(8) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Na(1) and one P(5) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sb(3), one O(12), and one O(29) atom. The O(6)-O(12) bond length is 1.72 Å. The O(6)-O(29) bond length is 1.32 Å. In the seventh O site, O(7) is bonded in a 1-coordinate geometry to one Na(7), one P(1), and one O(13) atom. The O(7)-O(13) bond length is 1.72 Å. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Na(6), one Li(1), and one Sb(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Sb(3), one P(2), one O(15), one O(16), and one O(29) atom. The O(9)-O(15) bond length is 1.75 Å. The O(9)-O(16) bond length is 1.54 Å. The O(9)-O(29) bond length is 1.56 Å. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Na(8) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Li(2) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one Na(4) and one O(6) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(7), one P(3), one O(20), and one O(7) atom. The O(13)-O(20) bond length is 0.92 Å. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Sb(2) and one Sb(4) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one Li(1) and one O(9) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Na(11) and one O(9) atom. In the seventeenth O site, O(17) is bonded in a 1-coordinate geometry to one Sb(2) and one P(6) atom. In the eighteenth O site, O(18) is bonded in a 1-coordinate geometry to one Li(3) atom. In the nineteenth O site, O(19) is bonded in a distorted single-bond geometry to one Na(11) and one O(35) atom. The O(19)-O(35) bond length is 0.97 Å. In the twentieth O site, O(20) is bonded in a 1-coordinate geometry to one Na(2), one P(3), and one O(13) atom. In the twenty-first O site, O(21) is bonded in a single-bond geometry to one O(25) atom. The O(21)-O(25) bond length is 1.72 Å. In the twenty-second O site, O(22) is bonded in a distorted bent 120 degrees geometry to one Na(11) and one O(29) atom. The O(22)-O(29) bond length is 1.99 Å. In the twenty-third O site, O(23) is bonded in a distorted L-shaped geometry to one Na(1), one Na(2), and one Sb(1) atom. In the twenty-fourth O site, O(24) is bonded in a distorted water-like geometry to one Na(12) and one Li(3) atom. In the twenty-fifth O site, O(25) is bonded in a distorted L-shaped geometry to one O(21) and one O(31) atom. The O(25)-O(31) bond length is 1.72 Å. In the twenty-sixth O site, O(26) is bonded in a single-bond geometry to one Sb(4) atom. In the twenty-seventh O site, O(27) is bonded in a 5-coordinate geometry to one Na(12), one Na(3), one Na(9), one O(33), and one O(34) atom. The O(27)-O(33) bond length is 1.75 Å. The O(27)-O(34) bond length is 1.54 Å. In the twenty-eighth O site, O(28) is bonded in a 2-coordinate geometry to one Na(10) and one Na(7) atom. In the twenty-ninth O site, O(29) is bonded in a 6-coordinate geometry to one Li(1), one Sb(3), one P(2), one O(22), one O(6), and one O(9) atom. In the thirtieth O site, O(30) is bonded in a distorted bent 150 degrees geometry to one Na(10) and one Li(3) atom. In the thirty-first O site, O(31) is bonded in a distorted single-bond geometry to one Na(7) and one O(25) atom. In the thirty-second O site, O(32) is bonded in a distorted single-bond geometry to one Li(2) atom. In the thirty-third O site, O(33) is bonded in a 3-coordinate geometry to one Na(3), one P(1), and one O(27) atom. In the thirty-fourth O site, O(34) is bonded in a 3-coordinate geometry to one Na(3), one Na(9), and one O(27) atom. In the thirty-fifth O site, O(35) is bonded in a 2-coordinate geometry to one Li(2) and one O(19) atom. In the thirty-sixth O site, O(36) is bonded in a distorted single-bond geometry to one Na(8) atom.