data_Y7Ta3O18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.45
_cell_length_c   18.82
_cell_angle_alpha   89.76
_cell_angle_beta   89.93
_cell_angle_gamma   70.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y7Ta3O18
_chemical_formula_sum   'Y14 Ta6 O36'
_cell_volume   735.54
_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
  Y  Y0  1  0.33  0.95  0.19  1.0
  Y  Y1  1  0.03  0.08  0.09  1.0
  Y  Y2  1  0.33  0.29  0.94  1.0
  Y  Y3  1  0.35  0.11  0.93  1.0
  Y  Y4  1  0.0  0.0  0.0  1.0
  Y  Y5  1  0.3  0.85  0.88  1.0
  Y  Y6  1  0.29  0.03  0.89  1.0
  Y  Y7  1  0.6  0.07  0.74  1.0
  Y  Y8  1  0.3  0.2  0.64  1.0
  Y  Y9  1  0.3  0.07  0.66  1.0
  Y  Y10  1  0.02  0.05  0.42  1.0
  Y  Y11  1  0.1  0.07  0.41  1.0
  Y  Y12  1  0.61  0.1  0.41  1.0
  Y  Y13  1  0.33  0.08  0.17  1.0
  Ta  Ta14  1  0.33  0.11  0.98  1.0
  Ta  Ta15  1  0.3  0.04  0.0  1.0
  Ta  Ta16  1  0.3  0.04  0.84  1.0
  Ta  Ta17  1  0.29  0.05  0.74  1.0
  Ta  Ta18  1  0.23  0.04  0.41  1.0
  Ta  Ta19  1  0.34  0.09  0.08  1.0
  O  O20  1  0.44  0.29  0.16  1.0
  O  O21  1  0.41  0.55  0.8  1.0
  O  O22  1  0.59  0.05  0.28  1.0
  O  O23  1  0.13  0.14  0.83  1.0
  O  O24  1  0.26  0.7  0.25  1.0
  O  O25  1  0.53  0.36  0.96  1.0
  O  O26  1  0.21  0.91  0.93  1.0
  O  O27  1  0.78  0.72  0.92  1.0
  O  O28  1  0.38  0.47  0.24  1.0
  O  O29  1  0.56  0.07  0.59  1.0
  O  O30  1  0.07  0.07  0.24  1.0
  O  O31  1  0.25  0.67  0.58  1.0
  O  O32  1  0.86  0.42  0.91  1.0
  O  O33  1  0.42  0.24  0.9  1.0
  O  O34  1  0.1  0.79  0.87  1.0
  O  O35  1  0.37  0.45  0.57  1.0
  O  O36  1  0.5  0.01  1.0  1.0
  O  O37  1  0.04  0.1  0.54  1.0
  O  O38  1  0.22  0.6  0.02  1.0
  O  O39  1  0.5  0.3  0.56  1.0
  O  O40  1  0.19  0.86  0.67  1.0
  O  O41  1  0.82  0.69  0.76  1.0
  O  O42  1  0.33  0.76  0.63  1.0
  O  O43  1  0.61  0.03  0.42  1.0
  O  O44  1  0.12  0.88  0.67  1.0
  O  O45  1  0.19  0.52  0.42  1.0
  O  O46  1  0.2  0.88  0.41  1.0
  O  O47  1  0.28  0.43  0.57  1.0
  O  O48  1  0.35  0.71  0.25  1.0
  O  O49  1  0.43  0.27  0.41  1.0
  O  O50  1  0.44  0.63  0.4  1.0
  O  O51  1  0.51  0.27  0.15  1.0
  O  O52  1  0.02  0.12  0.41  1.0
  O  O53  1  0.3  0.38  0.19  1.0
  O  O54  1  0.81  0.46  0.06  1.0
  O  O55  1  0.14  0.84  0.26  1.0

data_Y7Ta3O18
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.44
_cell_length_b   6.45
_cell_length_c   18.82
_cell_angle_alpha   89.76
_cell_angle_beta   89.93
_cell_angle_gamma   70.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y7Ta3O18
_chemical_formula_sum   'Y14 Ta6 O36'
_cell_volume   735.54
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Y  Y1  1  0.02  0.05  0.42  1.0
  Y  Y2  1  0.03  0.08  0.09  1.0
  Y  Y3  1  0.1  0.07  0.41  1.0
  Y  Y4  1  0.29  0.03  0.89  1.0
  Y  Y5  1  0.3  0.07  0.66  1.0
  Y  Y6  1  0.3  0.2  0.64  1.0
  Y  Y7  1  0.3  0.85  0.88  1.0
  Y  Y8  1  0.33  0.29  0.94  1.0
  Y  Y9  1  0.33  0.95  0.19  1.0
  Y  Y10  1  0.33  0.08  0.17  1.0
  Y  Y11  1  0.35  0.11  0.93  1.0
  Y  Y12  1  0.6  0.07  0.74  1.0
  Y  Y13  1  0.61  0.1  0.41  1.0
  Ta  Ta14  1  0.23  0.04  0.41  1.0
  Ta  Ta15  1  0.29  0.05  0.74  1.0
  Ta  Ta16  1  0.3  0.04  0.84  1.0
  Ta  Ta17  1  0.3  0.04  0.0  1.0
  Ta  Ta18  1  0.33  0.11  0.98  1.0
  Ta  Ta19  1  0.34  0.09  0.08  1.0
  O  O20  1  0.02  0.12  0.41  1.0
  O  O21  1  0.04  0.1  0.54  1.0
  O  O22  1  0.07  0.07  0.24  1.0
  O  O23  1  0.1  0.79  0.87  1.0
  O  O24  1  0.12  0.88  0.67  1.0
  O  O25  1  0.13  0.14  0.83  1.0
  O  O26  1  0.14  0.84  0.26  1.0
  O  O27  1  0.19  0.86  0.67  1.0
  O  O28  1  0.19  0.52  0.42  1.0
  O  O29  1  0.2  0.88  0.41  1.0
  O  O30  1  0.21  0.91  0.93  1.0
  O  O31  1  0.22  0.6  0.02  1.0
  O  O32  1  0.25  0.67  0.58  1.0
  O  O33  1  0.26  0.7  0.25  1.0
  O  O34  1  0.28  0.43  0.57  1.0
  O  O35  1  0.3  0.38  0.19  1.0
  O  O36  1  0.33  0.76  0.63  1.0
  O  O37  1  0.35  0.71  0.25  1.0
  O  O38  1  0.37  0.45  0.57  1.0
  O  O39  1  0.38  0.47  0.24  1.0
  O  O40  1  0.41  0.55  0.8  1.0
  O  O41  1  0.42  0.24  0.9  1.0
  O  O42  1  0.43  0.27  0.41  1.0
  O  O43  1  0.44  0.63  0.4  1.0
  O  O44  1  0.44  0.29  0.16  1.0
  O  O45  1  0.5  0.3  0.56  1.0
  O  O46  1  0.5  0.01  1.0  1.0
  O  O47  1  0.51  0.27  0.15  1.0
  O  O48  1  0.53  0.36  0.96  1.0
  O  O49  1  0.56  0.07  0.59  1.0
  O  O50  1  0.59  0.05  0.28  1.0
  O  O51  1  0.61  0.03  0.42  1.0
  O  O52  1  0.78  0.72  0.92  1.0
  O  O53  1  0.81  0.46  0.06  1.0
  O  O54  1  0.82  0.69  0.76  1.0
  O  O55  1  0.86  0.42  0.91  1.0

Y Y Y Y Y Y Y Y Y Y Y Y Y Y Ta Ta Ta Ta Ta Ta 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
Y Y Y Y Y Y Y Y Y Y Y Y Y Y Ta Ta Ta Ta Ta Ta 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 0 13 o + o 0 22 o + o 1 4 o o o 1 19 o o o 1 54 - o o 2 3 o o o 2 33 o o o 2 25 o o o 2 38 o o + 3 6 o o o 3 14 o o o 4 26 o - - 4 15 o o o 4 38 o - o 4 54 - o o 5 26 o o o 5 6 o + o 5 21 o o o 5 34 o o o 6 16 o o o 7 9 o o o 7 17 o o o 7 8 o o o 7 41 o - o 8 9 o o o 8 37 o o o 9 17 o o o 9 37 o o o 10 52 o o o 10 11 o o o 10 37 o o o 10 46 o - o 11 52 o o o 11 18 o o o 11 37 o o o 11 46 o - o 12 43 o o o 12 22 o o o 12 49 o o o 13 19 o o o 13 22 o o o 14 15 o o + 14 19 o o + 14 36 o o o 15 19 o o o 15 36 o o - 16 23 o o o 16 17 o o o 17 23 o o o 18 37 o o o 18 46 o - o 19 36 o o - 20 51 o o o 20 22 o o o 20 53 o o o 20 54 o o o 21 33 o o o 21 34 o o o 21 41 o o o 22 48 o - o 22 53 o o o 22 51 o o o 22 28 o o o 22 49 o o o 22 43 o o o 24 48 o o o 24 28 o o o 24 55 o o o 25 33 o o o 25 38 o o + 25 54 o o + 26 34 o o o 26 38 o o + 27 32 o o o 27 41 o o o 27 54 o o + 28 53 o o o 28 48 o o o 29 39 o o o 30 55 o - o 31 47 o o o 31 35 o o o 31 42 o o o 31 37 o + o 32 41 o o o 32 54 o o + 34 41 - o o 35 47 o o o 35 39 o o o 37 52 o o o 37 46 o - o 37 44 o - o 37 42 o - o 37 40 o - o 37 47 o o o 38 54 - o o 40 44 o o o 40 42 o o o 41 44 + o o 45 49 o o o 45 50 o o o 46 50 o o o 51 54 o o o 
Y7Ta3O18 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Y sites. In the first Y site, Y(1) is bonded in a 3-coordinate geometry to one Y(14), one O(11), one O(29), and one O(3) atom. The Y(1)-Y(14) bond length is 0.92 Å. The Y(1)-O(11) bond length is 1.87 Å. The Y(1)-O(29) bond length is 1.92 Å. The Y(1)-O(3) bond length is 2.66 Å. In the second Y site, Y(2) is bonded in a 4-coordinate geometry to one Y(5), one Ta(6), one O(11), and one O(35) atom. The Y(2)-Y(5) bond length is 1.77 Å. The Y(2)-Ta(6) bond length is 2.07 Å. The Y(2)-O(11) bond length is 2.80 Å. The Y(2)-O(35) bond length is 2.45 Å. In the third Y site, Y(3) is bonded in a 2-coordinate geometry to one O(13), one O(14), one O(19), and one O(6) atom. The Y(3)-O(13) bond length is 2.95 Å. The Y(3)-O(14) bond length is 1.00 Å. The Y(3)-O(19) bond length is 2.40 Å. The Y(3)-O(6) bond length is 1.52 Å. In the fourth Y site, Y(4) is bonded in a 2-coordinate geometry to one Ta(1) and one O(14) atom. The Y(4)-Ta(1) bond length is 0.95 Å. The Y(4)-O(14) bond length is 1.28 Å. In the fifth Y site, Y(5) is bonded in a distorted single-bond geometry to one Y(2), one O(13), one O(19), one O(7), and one O(8) atom. The Y(5)-O(13) bond length is 3.11 Å. The Y(5)-O(19) bond length is 2.53 Å. The Y(5)-O(7) bond length is 1.87 Å. The Y(5)-O(8) bond length is 3.06 Å. In the sixth Y site, Y(6) is bonded in a 2-coordinate geometry to one O(15), one O(2), one O(7), and one O(8) atom. The Y(6)-O(15) bond length is 1.52 Å. The Y(6)-O(2) bond length is 2.40 Å. The Y(6)-O(7) bond length is 1.00 Å. The Y(6)-O(8) bond length is 2.95 Å. In the seventh Y site, Y(7) is bonded in a 2-coordinate geometry to one Ta(3) and one O(7) atom. The Y(7)-Ta(3) bond length is 0.95 Å. The Y(7)-O(7) bond length is 1.28 Å. In the eighth Y site, Y(8) is bonded in a 4-coordinate geometry to one Ta(4), one O(10), one O(2), and one O(22) atom. The Y(8)-Ta(4) bond length is 2.07 Å. The Y(8)-O(10) bond length is 2.80 Å. The Y(8)-O(2) bond length is 3.18 Å. The Y(8)-O(22) bond length is 2.45 Å. In the ninth Y site, Y(9) is bonded in a 3-coordinate geometry to one Y(10), one O(10), one O(18), and one O(28) atom. The Y(9)-Y(10) bond length is 0.92 Å. The Y(9)-O(10) bond length is 1.87 Å. The Y(9)-O(18) bond length is 2.66 Å. The Y(9)-O(28) bond length is 1.92 Å. In the tenth Y site, Y(10) is bonded in a 4-coordinate geometry to one Y(9), one Ta(4), one O(18), one O(21), and one O(23) atom. The Y(10)-Ta(4) bond length is 1.56 Å. The Y(10)-O(18) bond length is 2.70 Å. The Y(10)-O(21) bond length is 1.77 Å. The Y(10)-O(23) bond length is 1.99 Å. In the eleventh Y site, Y(11) is bonded in a distorted single-bond geometry to one O(18), one O(27), and one O(33) atom. The Y(11)-O(18) bond length is 2.38 Å. The Y(11)-O(27) bond length is 1.30 Å. The Y(11)-O(33) bond length is 0.51 Å. In the twelfth Y site, Y(12) is bonded in a 1-coordinate geometry to one Ta(5), one O(18), one O(27), and one O(33) atom. The Y(12)-Ta(5) bond length is 0.80 Å. The Y(12)-O(18) bond length is 2.50 Å. The Y(12)-O(27) bond length is 1.21 Å. The Y(12)-O(33) bond length is 0.49 Å. In the thirteenth Y site, Y(13) is bonded in a distorted single-bond geometry to one O(24), one O(3), and one O(30) atom. The Y(13)-O(24) bond length is 0.51 Å. The Y(13)-O(3) bond length is 2.38 Å. The Y(13)-O(30) bond length is 1.30 Å. In the fourteenth Y site, Y(14) is bonded in a 4-coordinate geometry to one Y(1), one Ta(6), one O(1), one O(3), and one O(34) atom. The Y(14)-Ta(6) bond length is 1.56 Å. The Y(14)-O(1) bond length is 1.77 Å. The Y(14)-O(3) bond length is 2.70 Å. The Y(14)-O(34) bond length is 1.99 Å. There are six inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 3-coordinate geometry to one Y(4), one Ta(2), and one O(17) atom. The Ta(1)-Ta(2) bond length is 0.64 Å. The Ta(1)-O(17) bond length is 1.08 Å. In the second Ta site, Ta(2) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(6), one O(17), and one O(7) atom. The Ta(2)-Ta(6) bond length is 1.64 Å. The Ta(2)-O(17) bond length is 1.23 Å. The Ta(2)-O(7) bond length is 1.81 Å. In the third Ta site, Ta(3) is bonded in a distorted water-like geometry to one Y(7) and one O(4) atom. The Ta(3)-O(4) bond length is 1.08 Å. In the fourth Ta site, Ta(4) is bonded in a 4-coordinate geometry to one Y(10), one Y(8), one O(21), and one O(4) atom. The Ta(4)-O(21) bond length is 2.13 Å. The Ta(4)-O(4) bond length is 1.91 Å. In the fifth Ta site, Ta(5) is bonded in a 2-coordinate geometry to one Y(12), one O(18), and one O(27) atom. The Ta(5)-O(18) bond length is 2.72 Å. The Ta(5)-O(27) bond length is 1.10 Å. In the sixth Ta site, Ta(6) is bonded in a 5-coordinate geometry to one Y(14), one Y(2), one Ta(2), one O(1), and one O(17) atom. The Ta(6)-O(1) bond length is 2.13 Å. The Ta(6)-O(17) bond length is 1.91 Å. There are thirty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Y(14), one Ta(6), one O(32), and one O(34) atom. The O(1)-O(32) bond length is 0.42 Å. The O(1)-O(34) bond length is 1.14 Å. In the second O site, O(2) is bonded in a distorted linear geometry to one Y(6) and one Y(8) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Y(1), one Y(13), and one Y(14) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Ta(3) and one Ta(4) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one O(20,36); one O(29); and one O(9,12) atom. The O(5)-O(20,36) bond length is 1.03 Å. The O(5)-O(29) bond length is 0.63 Å. The O(5)-O(9,12) bond length is 1.41 Å. In the sixth O site, O(6) is bonded in a single-bond geometry to one Y(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Y(5), one Y(6), one Y(7), and one Ta(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Y(5), one Y(6), and one O(13) atom. The O(8)-O(13) bond length is 1.85 Å. In the ninth O site, O(9,12) is bonded in a 3-coordinate geometry to one O(29), one O(34), and one O(5) atom. The O(9,12)-O(29) bond length is 1.50 Å. The O(9,12)-O(34) bond length is 1.32 Å. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Y(8); one Y(9); and one O(20,36) atom. The O(10)-O(20,36) bond length is 1.49 Å. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Y(1); one Y(2); and one O(20,36) atom. The O(11)-O(20,36) bond length is 1.49 Å. In the twelfth O site, O(13) is bonded in a 3-coordinate geometry to one Y(3), one Y(5), and one O(8) atom. In the thirteenth O site, O(14) is bonded in a 2-coordinate geometry to one Y(3) and one Y(4) atom. In the fourteenth O site, O(15) is bonded in a single-bond geometry to one Y(6) atom. In the fifteenth O site, O(16) is bonded in a single-bond geometry to one O(20,36); one O(28); and one O(9,12) atom. The O(16)-O(20,36) bond length is 1.03 Å. The O(16)-O(28) bond length is 0.63 Å. The O(16)-O(9,12) bond length is 1.41 Å. In the sixteenth O site, O(17) is bonded in a distorted single-bond geometry to one Ta(1), one Ta(2), and one Ta(6) atom. In the seventeenth O site, O(18) is bonded in a 5-coordinate geometry to one Y(10), one Y(11), one Y(12), one Y(9), and one Ta(5) atom. In the eighteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one Y(3) and one Y(5) atom. In the nineteenth O site, O(20,36) is bonded in a 2-coordinate geometry to one O(10) and one O(16) atom. In the twentieth O site, O(21) is bonded in a 4-coordinate geometry to one Y(10), one Ta(4), one O(23), and one O(25) atom. The O(21)-O(23) bond length is 1.14 Å. The O(21)-O(25) bond length is 0.42 Å. In the twenty-first O site, O(22) is bonded in a single-bond geometry to one Y(8) atom. In the twenty-second O site, O(23) is bonded in a 3-coordinate geometry to one Y(10); one O(21); and one O(9,12) atom. The O(23)-O(9,12) bond length is 1.32 Å. In the twenty-third O site, O(24) is bonded in a single-bond geometry to one Y(13) atom. In the twenty-fourth O site, O(25) is bonded in a single-bond geometry to one O(21) atom. In the twenty-fifth O site, O(26) is bonded in a distorted single-bond geometry to one O(30) and one O(31) atom. The O(26)-O(30) bond length is 1.84 Å. The O(26)-O(31) bond length is 2.03 Å. In the twenty-sixth O site, O(27) is bonded in a 3-coordinate geometry to one Y(11), one Y(12), one Ta(5), and one O(31) atom. The O(27)-O(31) bond length is 1.84 Å. In the twenty-seventh O site, O(28) is bonded in a distorted water-like geometry to one Y(9); one O(16); and one O(9,12) atom. The O(28)-O(9,12) bond length is 1.50 Å. In the twenty-eighth O site, O(29) is bonded in a distorted water-like geometry to one Y(1); one O(5); and one O(9,12) atom. In the twenty-ninth O site, O(30) is bonded in a distorted single-bond geometry to one Y(13) and one O(26) atom. In the thirtieth O site, O(31) is bonded in a distorted single-bond geometry to one O(26) and one O(27) atom. In the thirty-first O site, O(32) is bonded in a single-bond geometry to one O(1) atom. In the thirty-second O site, O(33) is bonded in a 2-coordinate geometry to one Y(11) and one Y(12) atom. In the thirty-third O site, O(34) is bonded in a 3-coordinate geometry to one Y(14); one O(1); and one O(9,12) atom. In the thirty-fourth O site, O(35) is bonded in a single-bond geometry to one Y(2) atom.