data_Nd2MoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.3
_cell_length_b   16.3
_cell_length_c   16.3
_cell_angle_alpha   160.04
_cell_angle_beta   160.04
_cell_angle_gamma   28.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2MoO6
_chemical_formula_sum   'Nd8 Mo4 O24'
_cell_volume   504.64
_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
  Nd  Nd4  1  0.0  0.0  0.16  1.0
  Nd  Nd5  1  0.0  0.0  0.96  1.0
  Nd  Nd6  1  0.0  0.0  0.65  1.0
  Nd  Nd7  1  0.0  0.0  0.45  1.0
  Nd  Nd8  1  0.0  0.83  0.06  1.0
  Nd  Nd9  1  0.83  0.0  0.06  1.0
  Nd  Nd10  1  0.83  0.0  0.75  1.0
  Nd  Nd11  1  0.0  0.83  0.75  1.0
  Mo  Mo0  1  0.83  0.0  0.9  1.0
  Mo  Mo1  1  0.0  0.83  0.9  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.81  1.0
  O  O12  1  0.41  0.44  0.76  1.0
  O  O13  1  0.41  0.38  0.95  1.0
  O  O14  1  0.41  0.62  0.76  1.0
  O  O15  1  0.41  0.21  0.95  1.0
  O  O16  1  0.01  0.79  0.75  1.0
  O  O17  1  0.83  0.04  0.75  1.0
  O  O18  1  0.82  0.96  0.75  1.0
  O  O19  1  0.99  0.86  0.75  1.0
  O  O20  1  0.96  0.82  0.05  1.0
  O  O21  1  0.79  0.01  0.05  1.0
  O  O22  1  0.86  0.99  0.05  1.0
  O  O23  1  0.04  0.83  0.05  1.0
  O  O24  1  0.44  0.41  0.05  1.0
  O  O25  1  0.44  0.59  0.85  1.0
  O  O26  1  0.38  0.41  0.85  1.0
  O  O27  1  0.38  0.24  0.05  1.0
  O  O28  1  0.96  0.99  0.85  1.0
  O  O29  1  0.79  0.83  0.85  1.0
  O  O30  1  0.04  0.99  0.65  1.0
  O  O31  1  0.86  0.83  0.65  1.0
  O  O32  1  0.66  0.96  0.15  1.0
  O  O33  1  0.83  0.86  0.15  1.0
  O  O34  1  0.99  0.96  0.96  1.0
  O  O35  1  0.17  0.86  0.96  1.0

data_Nd2MoO6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   16.3
_cell_angle_alpha   99.98
_cell_angle_beta   99.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2MoO6
_chemical_formula_sum   'Nd8 Mo4 O24'
_cell_volume   504.64
_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
  Nd  Nd0  1  0.06  0.23  0.23  1.0
  Nd  Nd1  1  0.16  0.16  0.16  1.0
  Nd  Nd2  1  0.23  0.06  0.23  1.0
  Nd  Nd3  1  0.45  0.45  0.45  1.0
  Nd  Nd4  1  0.65  0.65  0.65  1.0
  Nd  Nd5  1  0.75  0.92  0.92  1.0
  Nd  Nd6  1  0.92  0.75  0.92  1.0
  Nd  Nd7  1  0.96  0.96  0.96  1.0
  Mo  Mo8  1  0.0  0.0  0.0  1.0
  Mo  Mo9  1  0.08  0.9  0.08  1.0
  Mo  Mo10  1  0.81  0.81  0.81  1.0
  Mo  Mo11  1  0.9  0.08  0.08  1.0
  O  O12  1  0.02  0.06  0.23  1.0
  O  O13  1  0.05  0.26  0.26  1.0
  O  O14  1  0.06  0.19  0.2  1.0
  O  O15  1  0.1  0.79  0.93  1.0
  O  O16  1  0.14  0.34  0.73  1.0
  O  O17  1  0.19  0.49  0.53  1.0
  O  O18  1  0.22  0.02  0.19  1.0
  O  O19  1  0.23  0.09  0.27  1.0
  O  O20  1  0.27  0.41  0.82  1.0
  O  O21  1  0.29  0.32  0.46  1.0
  O  O22  1  0.31  0.34  0.9  1.0
  O  O23  1  0.44  0.47  0.06  1.0
  O  O24  1  0.57  0.54  0.16  1.0
  O  O25  1  0.64  0.61  0.19  1.0
  O  O26  1  0.66  0.62  0.62  1.0
  O  O27  1  0.72  0.92  0.89  1.0
  O  O28  1  0.74  0.54  0.33  1.0
  O  O29  1  0.79  0.93  0.97  1.0
  O  O30  1  0.81  0.67  0.43  1.0
  O  O31  1  0.82  0.79  0.96  1.0
  O  O32  1  0.85  0.88  0.89  1.0
  O  O33  1  0.89  0.76  0.9  1.0
  O  O34  1  0.96  0.75  0.96  1.0
  O  O35  1  0.99  0.96  1.0  1.0

Nd Nd Nd Nd Nd Nd Nd Nd Mo Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O
Nd Nd Nd Nd Nd Nd Nd Nd Mo Mo Mo Mo 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 22 - - o 0 23 o - o 1 34 - - o 1 10 o o + 2 30 o - o 3 33 - - o 4 20 - o o 4 23 o o o 4 29 - o - 5 21 o o o 5 22 o - o 5 29 o - - 6 17 o o o 6 18 o - o 6 28 o - o 7 19 - o o 7 16 o o o 7 31 - o o 7 35 o o o 8 9 + - o 8 34 o - o 8 10 + o + 9 10 o + + 9 34 - o o 10 34 - - - 11 28 - - o 11 19 - - o 11 17 - o o 12 25 o o o 13 24 o o + 13 26 o o o 14 25 o o o 15 27 o o + 16 31 - o o 16 35 o o o 17 28 o - o 18 31 o o o 19 28 o o o 19 35 + o o 21 29 o - - 22 29 o o - 32 33 o o o 
Nd2MoO6 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one trioxidane molecule and one Nd8Mo4O21 cluster. In the Nd8Mo4O21 cluster, there are eight inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in an L-shaped geometry to one Mo(1), one O(11), one O(12), one O(15), and one O(2) atom. The Nd(1)-Mo(1) bond length is 1.76 Å. The Nd(1)-O(11) bond length is 0.94 Å. The Nd(1)-O(12) bond length is 1.03 Å. The Nd(1)-O(15) bond length is 3.19 Å. The Nd(1)-O(2) bond length is 3.18 Å. In the second Nd site, Nd(2) is bonded in a single-bond geometry to one O(23) and one O(7) atom. The Nd(2)-O(23) bond length is 0.57 Å. The Nd(2)-O(7) bond length is 1.02 Å. In the third Nd site, Nd(3) is bonded in a single-bond geometry to one Mo(4), one O(19), and one O(21) atom. The Nd(3)-Mo(4) bond length is 2.56 Å. The Nd(3)-O(19) bond length is 0.41 Å. The Nd(3)-O(21) bond length is 2.99 Å. In the fourth Nd site, Nd(4) is bonded in a distorted single-bond geometry to one O(16), one O(21), one O(22), and one O(4) atom. The Nd(4)-O(16) bond length is 2.48 Å. The Nd(4)-O(21) bond length is 2.11 Å. The Nd(4)-O(22) bond length is 1.22 Å. The Nd(4)-O(4) bond length is 2.89 Å. In the fifth Nd site, Nd(5) is bonded in a distorted linear geometry to one O(12) and one O(9) atom. The Nd(5)-O(12) bond length is 0.76 Å. The Nd(5)-O(9) bond length is 0.57 Å. In the sixth Nd site, Nd(6) is bonded in a 3-coordinate geometry to one O(10), one O(11), and one O(18) atom. The Nd(6)-O(10) bond length is 0.41 Å. The Nd(6)-O(11) bond length is 0.59 Å. The Nd(6)-O(18) bond length is 1.00 Å. In the seventh Nd site, Nd(7) is bonded in a 3-coordinate geometry to one O(17), one O(6), and one O(7) atom. The Nd(7)-O(17) bond length is 0.85 Å. The Nd(7)-O(6) bond length is 0.57 Å. The Nd(7)-O(7) bond length is 0.76 Å. In the eighth Nd site, Nd(8) is bonded in a 2-coordinate geometry to one O(20), one O(24), one O(5), and one O(8) atom. The Nd(8)-O(20) bond length is 0.95 Å. The Nd(8)-O(24) bond length is 1.00 Å. The Nd(8)-O(5) bond length is 0.59 Å. The Nd(8)-O(8) bond length is 0.41 Å. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one Nd(1), one Mo(2), one Mo(3), one O(11), one O(23), and one O(7) atom. The Mo(1)-Mo(2) bond length is 1.40 Å. The Mo(1)-Mo(3) bond length is 1.46 Å. The Mo(1)-O(11) bond length is 2.01 Å. The Mo(1)-O(23) bond length is 1.52 Å. The Mo(1)-O(7) bond length is 1.84 Å. In the second Mo site, Mo(2) is bonded in a distorted single-bond geometry to one Mo(1) and one O(23) atom. The Mo(2)-O(23) bond length is 1.41 Å. In the third Mo site, Mo(3) is bonded in a single-bond geometry to one Mo(1) and one O(23) atom. The Mo(3)-O(23) bond length is 0.22 Å. In the fourth Mo site, Mo(4) is bonded in a 4-coordinate geometry to one Nd(3), one O(17), one O(6), and one O(8) atom. The Mo(4)-O(17) bond length is 1.37 Å. The Mo(4)-O(6) bond length is 1.52 Å. The Mo(4)-O(8) bond length is 1.55 Å. There are twenty-one inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to one Nd(1), one O(13), and one O(15) atom. The O(2)-O(13) bond length is 0.69 Å. The O(2)-O(15) bond length is 1.61 Å. In the second O site, O(4) is bonded in a 2-coordinate geometry to one Nd(4) and one O(16) atom. The O(4)-O(16) bond length is 1.61 Å. In the third O site, O(5) is bonded in a distorted single-bond geometry to one Nd(8) atom. In the fourth O site, O(6) is bonded in a single-bond geometry to one Nd(7) and one Mo(4) atom. In the fifth O site, O(7) is bonded in a distorted L-shaped geometry to one Nd(2), one Nd(7), and one Mo(1) atom. In the sixth O site, O(8) is bonded in a distorted single-bond geometry to one Nd(8) and one Mo(4) atom. In the seventh O site, O(9) is bonded in a single-bond geometry to one Nd(5) atom. In the eighth O site, O(10) is bonded in a single-bond geometry to one Nd(6) atom. In the ninth O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Nd(1), one Nd(6), and one Mo(1) atom. In the tenth O site, O(12) is bonded in a water-like geometry to one Nd(1) and one Nd(5) atom. In the eleventh O site, O(13) is bonded in a single-bond geometry to one O(2) atom. In the twelfth O site, O(15) is bonded in a 2-coordinate geometry to one Nd(1) and one O(2) atom. In the thirteenth O site, O(16) is bonded in an L-shaped geometry to one Nd(4) and one O(4) atom. In the fourteenth O site, O(17) is bonded in a distorted single-bond geometry to one Nd(7) and one Mo(4) atom. In the fifteenth O site, O(18) is bonded in a 1-coordinate geometry to one Nd(6) atom. In the sixteenth O site, O(19) is bonded in a single-bond geometry to one Nd(3) atom. In the seventeenth O site, O(20) is bonded in a 1-coordinate geometry to one Nd(8) atom. In the eighteenth O site, O(21) is bonded in a 3-coordinate geometry to one Nd(3), one Nd(4), and one O(22) atom. The O(21)-O(22) bond length is 1.58 Å. In the nineteenth O site, O(22) is bonded in a single-bond geometry to one Nd(4) and one O(21) atom. In the twentieth O site, O(23) is bonded in an L-shaped geometry to one Nd(2), one Mo(1), one Mo(2), and one Mo(3) atom. In the twenty-first O site, O(24) is bonded in a 1-coordinate geometry to one Nd(8) atom.