The material described by NaCSbAsO7 crystallizes in the monoclinic P2_1 space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Sb(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form SbO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. As(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form AsO4 tetrahedra that share corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(1), one C(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one C(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one As(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Sb(1), and one As(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Sb(1), and one As(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Na(1), one Sb(1), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSbAsCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.918
_cell_length_b   5.674
_cell_length_c   9.404
_cell_angle_alpha   88.997
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   369.061
_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  0.509  0.764  0.791  1.0
  Na  Na1  1  0.009  0.236  0.209  1.0
  Sb  Sb2  1  0.240  0.206  0.657  1.0
  Sb  Sb3  1  0.740  0.794  0.343  1.0
  As  As4  1  0.747  0.283  0.572  1.0
  As  As5  1  0.247  0.717  0.428  1.0
  C  C6  1  0.257  0.277  0.925  1.0
  C  C7  1  0.757  0.723  0.075  1.0
  O  O8  1  0.744  0.690  0.947  1.0
  O  O9  1  0.256  0.063  0.865  1.0
  O  O10  1  0.270  0.451  0.826  1.0
  O  O11  1  0.940  0.205  0.679  1.0
  O  O12  1  0.548  0.179  0.666  1.0
  O  O13  1  0.264  0.845  0.594  1.0
  O  O14  1  0.727  0.586  0.542  1.0
  O  O15  1  0.227  0.414  0.458  1.0
  O  O16  1  0.764  0.155  0.406  1.0
  O  O17  1  0.048  0.821  0.334  1.0
  O  O18  1  0.440  0.795  0.321  1.0
  O  O19  1  0.770  0.549  0.174  1.0
  O  O20  1  0.756  0.937  0.135  1.0
  O  O21  1  0.244  0.310  0.053  1.0
[/CIF]
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The material described by NaCSbAsO7 crystallizes in the monoclinic P2_1 space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Sb(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form SbO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. As(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form AsO4 tetrahedra that share corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(1), one C(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one C(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one As(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Sb(1), and one As(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Sb(1), and one As(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Na(1), one Sb(1), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSbAsCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.918
_cell_length_b   5.674
_cell_length_c   9.404
_cell_angle_alpha   88.997
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   369.061
_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  0.509  0.764  0.791  1.0
  Na  Na1  1  0.009  0.236  0.209  1.0
  Sb  Sb2  1  0.240  0.206  0.657  1.0
  Sb  Sb3  1  0.740  0.794  0.343  1.0
  As  As4  1  0.747  0.283  0.572  1.0
  As  As5  1  0.247  0.717  0.428  1.0
  C  C6  1  0.257  0.277  0.925  1.0
  C  C7  1  0.757  0.723  0.075  1.0
  O  O8  1  0.744  0.690  0.947  1.0
  O  O9  1  0.256  0.063  0.865  1.0
  O  O10  1  0.270  0.451  0.826  1.0
  O  O11  1  0.940  0.205  0.679  1.0
  O  O12  1  0.548  0.179  0.666  1.0
  O  O13  1  0.264  0.845  0.594  1.0
  O  O14  1  0.727  0.586  0.542  1.0
  O  O15  1  0.227  0.414  0.458  1.0
  O  O16  1  0.764  0.155  0.406  1.0
  O  O17  1  0.048  0.821  0.334  1.0
  O  O18  1  0.440  0.795  0.321  1.0
  O  O19  1  0.770  0.549  0.174  1.0
  O  O20  1  0.756  0.937  0.135  1.0
  O  O21  1  0.244  0.310  0.053  1.0
[/CIF]
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