The crystal structure described by NaCrCAsO7 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. Cr(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 CrO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. 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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-48°. 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 Cr(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1), one Cr(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(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 Cr(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 Cr(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 Cr(1), and one As(1) atom. is represented by the CIF file [CIF]
data_NaCrAsCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.472
_cell_length_b   5.373
_cell_length_c   9.266
_cell_angle_alpha   87.273
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   321.840
_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  0.515  0.769  0.783  1.0
  Na  Na1  1  0.015  0.231  0.217  1.0
  Cr  Cr2  1  0.238  0.208  0.666  1.0
  Cr  Cr3  1  0.738  0.792  0.334  1.0
  As  As4  1  0.745  0.283  0.565  1.0
  As  As5  1  0.245  0.717  0.435  1.0
  C  C6  1  0.256  0.274  0.920  1.0
  C  C7  1  0.756  0.726  0.080  1.0
  O  O8  1  0.749  0.678  0.952  1.0
  O  O9  1  0.250  0.051  0.865  1.0
  O  O10  1  0.266  0.451  0.811  1.0
  O  O11  1  0.950  0.207  0.680  1.0
  O  O12  1  0.544  0.192  0.675  1.0
  O  O13  1  0.259  0.877  0.590  1.0
  O  O14  1  0.730  0.597  0.523  1.0
  O  O15  1  0.230  0.403  0.477  1.0
  O  O16  1  0.759  0.123  0.410  1.0
  O  O17  1  0.044  0.808  0.325  1.0
  O  O18  1  0.450  0.793  0.320  1.0
  O  O19  1  0.766  0.549  0.189  1.0
  O  O20  1  0.750  0.949  0.135  1.0
  O  O21  1  0.249  0.322  0.048  1.0
[/CIF]
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The crystal structure described by NaCrCAsO7 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. Cr(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 CrO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. 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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-48°. 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 Cr(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1), one Cr(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(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 Cr(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 Cr(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 Cr(1), and one As(1) atom. is represented by the CIF file [CIF]
data_NaCrAsCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.472
_cell_length_b   5.373
_cell_length_c   9.266
_cell_angle_alpha   87.273
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   321.840
_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  0.515  0.769  0.783  1.0
  Na  Na1  1  0.015  0.231  0.217  1.0
  Cr  Cr2  1  0.238  0.208  0.666  1.0
  Cr  Cr3  1  0.738  0.792  0.334  1.0
  As  As4  1  0.745  0.283  0.565  1.0
  As  As5  1  0.245  0.717  0.435  1.0
  C  C6  1  0.256  0.274  0.920  1.0
  C  C7  1  0.756  0.726  0.080  1.0
  O  O8  1  0.749  0.678  0.952  1.0
  O  O9  1  0.250  0.051  0.865  1.0
  O  O10  1  0.266  0.451  0.811  1.0
  O  O11  1  0.950  0.207  0.680  1.0
  O  O12  1  0.544  0.192  0.675  1.0
  O  O13  1  0.259  0.877  0.590  1.0
  O  O14  1  0.730  0.597  0.523  1.0
  O  O15  1  0.230  0.403  0.477  1.0
  O  O16  1  0.759  0.123  0.410  1.0
  O  O17  1  0.044  0.808  0.325  1.0
  O  O18  1  0.450  0.793  0.320  1.0
  O  O19  1  0.766  0.549  0.189  1.0
  O  O20  1  0.750  0.949  0.135  1.0
  O  O21  1  0.249  0.322  0.048  1.0
[/CIF]
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