The material structure described by Na2Sr3Zr(C2O7)3 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one O(10), one O(13), one O(17), one O(2), and one O(3) atom. In the second Na site, Na(2) is bonded in a distorted octahedral geometry to one O(12), one O(15), one O(18), one O(5), one O(6), and one O(9) atom. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to one O(1), one O(15), one O(18), one O(19), one O(2), one O(3), one O(5), one O(6), one O(7), and one O(9) atom. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one O(1), one O(12), one O(15), one O(16), one O(17), one O(20), one O(21), one O(3), one O(4), and one O(8) atom. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(13), one O(14), one O(17), one O(2), one O(7), one O(8), and one O(9) atom. Zr(1) is bonded in a 9-coordinate geometry to one O(1), one O(14), one O(16), one O(19), one O(20), one O(21), one O(4), one O(7), and one O(8) atom. There are six inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(19), one O(20), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(8), and one O(9) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(1), one O(12), and one O(2) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(16), one O(18), and one O(21) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(14), one O(4), and one O(6) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(15), one O(17), and one O(7) atom. There are twenty-one inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Sr(1), one Sr(2), one Zr(1), and one C(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Sr(1), one Sr(3), and one C(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Sr(1), one Sr(2), and one C(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sr(2), one Zr(1), and one C(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(2), one Sr(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Na(2), one Sr(1), and one C(5) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(3), one Zr(1), and one C(6) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Sr(2), one Sr(3), one Zr(1), and one C(2) atom. In the ninth O site, O(9) is bonded in a 1-coordinate geometry to one Na(2), one Sr(1), one Sr(3), and one C(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one O(11), and one O(13) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one Sr(3) and one O(10) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(2), one Sr(2), one Sr(3), and one C(3) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Na(1), one Sr(3), and one O(10) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Sr(3), one Zr(1), and one C(5) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(2), one Sr(1), one Sr(2), and one C(6) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Sr(2), one Zr(1), and one C(4) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Na(1), one Sr(2), one Sr(3), and one C(6) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Na(2), one Sr(1), and one C(4) atom. In the nineteenth O site, O(19) is bonded in a distorted single-bond geometry to one Sr(1), one Zr(1), and one C(1) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Sr(2), one Zr(1), and one C(1) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Sr(2), one Zr(1), and one C(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Sr3Zr(C2O7)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.051
_cell_length_b   8.915
_cell_length_c   8.951
_cell_angle_alpha   109.947
_cell_angle_beta   102.131
_cell_angle_gamma   111.779
_symmetry_Int_Tables_number   1
_cell_volume   453.105
_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
  Na  Na0  1  0.681  0.430  0.988  1.0
  Na  Na1  1  0.997  0.816  0.635  1.0
  Sr  Sr2  1  0.616  1.000  0.642  1.0
  Sr  Sr3  1  0.939  0.353  0.316  1.0
  Sr  Sr4  1  0.190  0.690  0.966  1.0
  Zr  Zr5  1  0.330  0.152  0.312  1.0
  C  C6  1  0.104  0.109  0.517  1.0
  C  C7  1  0.499  0.051  0.983  1.0
  C  C8  1  0.816  0.382  0.634  1.0
  C  C9  1  0.519  0.516  0.404  1.0
  C  C10  1  0.996  0.007  0.002  1.0
  C  C11  1  0.179  0.735  0.314  1.0
  O  O12  1  0.677  0.236  0.487  1.0
  O  O13  1  0.819  0.376  0.776  1.0
  O  O14  1  0.659  0.180  0.982  1.0
  O  O15  1  0.104  0.181  0.113  1.0
  O  O16  1  0.992  0.071  0.603  1.0
  O  O17  1  0.858  0.938  0.852  1.0
  O  O18  1  0.318  0.875  0.305  1.0
  O  O19  1  0.498  0.060  0.133  1.0
  O  O20  1  0.349  0.911  0.843  1.0
  O  O21  1  0.537  0.602  0.914  1.0
  O  O22  1  0.595  0.747  0.058  1.0
  O  O23  1  0.955  0.524  0.633  1.0
  O  O24  1  0.338  0.458  0.866  1.0
  O  O25  1  0.056  0.910  0.065  1.0
  O  O26  1  0.189  0.741  0.461  1.0
  O  O27  1  0.570  0.405  0.301  1.0
  O  O28  1  0.039  0.587  0.173  1.0
  O  O29  1  0.612  0.685  0.458  1.0
  O  O30  1  0.312  0.145  0.557  1.0
  O  O31  1  0.023  0.111  0.371  1.0
  O  O32  1  0.360  0.429  0.448  1.0
[/CIF]
.
The material structure described by Na2Sr3Zr(C2O7)3 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one O(10), one O(13), one O(17), one O(2), and one O(3) atom. In the second Na site, Na(2) is bonded in a distorted octahedral geometry to one O(12), one O(15), one O(18), one O(5), one O(6), and one O(9) atom. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to one O(1), one O(15), one O(18), one O(19), one O(2), one O(3), one O(5), one O(6), one O(7), and one O(9) atom. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one O(1), one O(12), one O(15), one O(16), one O(17), one O(20), one O(21), one O(3), one O(4), and one O(8) atom. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(13), one O(14), one O(17), one O(2), one O(7), one O(8), and one O(9) atom. Zr(1) is bonded in a 9-coordinate geometry to one O(1), one O(14), one O(16), one O(19), one O(20), one O(21), one O(4), one O(7), and one O(8) atom. There are six inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(19), one O(20), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(8), and one O(9) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(1), one O(12), and one O(2) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(16), one O(18), and one O(21) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(14), one O(4), and one O(6) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(15), one O(17), and one O(7) atom. There are twenty-one inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Sr(1), one Sr(2), one Zr(1), and one C(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Sr(1), one Sr(3), and one C(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Sr(1), one Sr(2), and one C(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sr(2), one Zr(1), and one C(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(2), one Sr(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Na(2), one Sr(1), and one C(5) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(3), one Zr(1), and one C(6) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Sr(2), one Sr(3), one Zr(1), and one C(2) atom. In the ninth O site, O(9) is bonded in a 1-coordinate geometry to one Na(2), one Sr(1), one Sr(3), and one C(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one O(11), and one O(13) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one Sr(3) and one O(10) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(2), one Sr(2), one Sr(3), and one C(3) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Na(1), one Sr(3), and one O(10) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Sr(3), one Zr(1), and one C(5) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(2), one Sr(1), one Sr(2), and one C(6) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Sr(2), one Zr(1), and one C(4) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Na(1), one Sr(2), one Sr(3), and one C(6) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Na(2), one Sr(1), and one C(4) atom. In the nineteenth O site, O(19) is bonded in a distorted single-bond geometry to one Sr(1), one Zr(1), and one C(1) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Sr(2), one Zr(1), and one C(1) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Sr(2), one Zr(1), and one C(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Sr3Zr(C2O7)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.051
_cell_length_b   8.915
_cell_length_c   8.951
_cell_angle_alpha   109.947
_cell_angle_beta   102.131
_cell_angle_gamma   111.779
_symmetry_Int_Tables_number   1
_cell_volume   453.105
_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
  Na  Na0  1  0.681  0.430  0.988  1.0
  Na  Na1  1  0.997  0.816  0.635  1.0
  Sr  Sr2  1  0.616  1.000  0.642  1.0
  Sr  Sr3  1  0.939  0.353  0.316  1.0
  Sr  Sr4  1  0.190  0.690  0.966  1.0
  Zr  Zr5  1  0.330  0.152  0.312  1.0
  C  C6  1  0.104  0.109  0.517  1.0
  C  C7  1  0.499  0.051  0.983  1.0
  C  C8  1  0.816  0.382  0.634  1.0
  C  C9  1  0.519  0.516  0.404  1.0
  C  C10  1  0.996  0.007  0.002  1.0
  C  C11  1  0.179  0.735  0.314  1.0
  O  O12  1  0.677  0.236  0.487  1.0
  O  O13  1  0.819  0.376  0.776  1.0
  O  O14  1  0.659  0.180  0.982  1.0
  O  O15  1  0.104  0.181  0.113  1.0
  O  O16  1  0.992  0.071  0.603  1.0
  O  O17  1  0.858  0.938  0.852  1.0
  O  O18  1  0.318  0.875  0.305  1.0
  O  O19  1  0.498  0.060  0.133  1.0
  O  O20  1  0.349  0.911  0.843  1.0
  O  O21  1  0.537  0.602  0.914  1.0
  O  O22  1  0.595  0.747  0.058  1.0
  O  O23  1  0.955  0.524  0.633  1.0
  O  O24  1  0.338  0.458  0.866  1.0
  O  O25  1  0.056  0.910  0.065  1.0
  O  O26  1  0.189  0.741  0.461  1.0
  O  O27  1  0.570  0.405  0.301  1.0
  O  O28  1  0.039  0.587  0.173  1.0
  O  O29  1  0.612  0.685  0.458  1.0
  O  O30  1  0.312  0.145  0.557  1.0
  O  O31  1  0.023  0.111  0.371  1.0
  O  O32  1  0.360  0.429  0.448  1.0
[/CIF]
.