The material structure described by Na2LaCPO7 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. La(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded to two equivalent Na(1), one La(1), and one C(1) atom to form distorted ONa2LaC trigonal pyramids that share corners with three equivalent O(6)Na2LaP tetrahedra and edges with two equivalent O(3)Na2LaC trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Na(1), one La(1), and one C(1) atom to form distorted ONa2LaC trigonal pyramids that share corners with three equivalent O(6)Na2LaP tetrahedra and edges with two equivalent O(2)Na2LaC trigonal pyramids. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Na(1), two equivalent La(1), and one P(1) atom. In the sixth O site, O(6) is bonded to two equivalent Na(1), one La(1), and one P(1) atom to form distorted corner-sharing ONa2LaP tetrahedra. is represented by the CIF file [CIF]
data_Na2LaPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.186
_cell_length_b   5.293
_cell_length_c   9.467
_cell_angle_alpha   88.910
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   359.963
_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
  Na  Na0  1  0.495  0.227  0.797  1.0
  Na  Na1  1  0.005  0.227  0.797  1.0
  Na  Na2  1  0.505  0.773  0.203  1.0
  Na  Na3  1  0.995  0.773  0.203  1.0
  La  La4  1  0.750  0.764  0.615  1.0
  La  La5  1  0.250  0.236  0.385  1.0
  P  P6  1  0.250  0.712  0.591  1.0
  P  P7  1  0.750  0.288  0.409  1.0
  C  C8  1  0.750  0.730  0.923  1.0
  C  C9  1  0.250  0.270  0.077  1.0
  O  O10  1  0.250  0.294  0.944  1.0
  O  O11  1  0.750  0.951  0.857  1.0
  O  O12  1  0.750  0.531  0.839  1.0
  O  O13  1  0.074  0.844  0.649  1.0
  O  O14  1  0.426  0.844  0.649  1.0
  O  O15  1  0.750  0.261  0.576  1.0
  O  O16  1  0.250  0.423  0.623  1.0
  O  O17  1  0.750  0.577  0.377  1.0
  O  O18  1  0.250  0.739  0.424  1.0
  O  O19  1  0.574  0.156  0.351  1.0
  O  O20  1  0.926  0.156  0.351  1.0
  O  O21  1  0.250  0.469  0.161  1.0
  O  O22  1  0.250  0.049  0.143  1.0
  O  O23  1  0.750  0.706  0.056  1.0
[/CIF]
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The material structure described by Na2LaCPO7 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. La(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded to two equivalent Na(1), one La(1), and one C(1) atom to form distorted ONa2LaC trigonal pyramids that share corners with three equivalent O(6)Na2LaP tetrahedra and edges with two equivalent O(3)Na2LaC trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Na(1), one La(1), and one C(1) atom to form distorted ONa2LaC trigonal pyramids that share corners with three equivalent O(6)Na2LaP tetrahedra and edges with two equivalent O(2)Na2LaC trigonal pyramids. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Na(1), two equivalent La(1), and one P(1) atom. In the sixth O site, O(6) is bonded to two equivalent Na(1), one La(1), and one P(1) atom to form distorted corner-sharing ONa2LaP tetrahedra. is represented by the CIF file [CIF]
data_Na2LaPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.186
_cell_length_b   5.293
_cell_length_c   9.467
_cell_angle_alpha   88.910
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   359.963
_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
  Na  Na0  1  0.495  0.227  0.797  1.0
  Na  Na1  1  0.005  0.227  0.797  1.0
  Na  Na2  1  0.505  0.773  0.203  1.0
  Na  Na3  1  0.995  0.773  0.203  1.0
  La  La4  1  0.750  0.764  0.615  1.0
  La  La5  1  0.250  0.236  0.385  1.0
  P  P6  1  0.250  0.712  0.591  1.0
  P  P7  1  0.750  0.288  0.409  1.0
  C  C8  1  0.750  0.730  0.923  1.0
  C  C9  1  0.250  0.270  0.077  1.0
  O  O10  1  0.250  0.294  0.944  1.0
  O  O11  1  0.750  0.951  0.857  1.0
  O  O12  1  0.750  0.531  0.839  1.0
  O  O13  1  0.074  0.844  0.649  1.0
  O  O14  1  0.426  0.844  0.649  1.0
  O  O15  1  0.750  0.261  0.576  1.0
  O  O16  1  0.250  0.423  0.623  1.0
  O  O17  1  0.750  0.577  0.377  1.0
  O  O18  1  0.250  0.739  0.424  1.0
  O  O19  1  0.574  0.156  0.351  1.0
  O  O20  1  0.926  0.156  0.351  1.0
  O  O21  1  0.250  0.469  0.161  1.0
  O  O22  1  0.250  0.049  0.143  1.0
  O  O23  1  0.750  0.706  0.056  1.0
[/CIF]
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