The material structure described by LaCrC6N6O5 crystallizes in the monoclinic P2_1/m space group. La(1) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(2), two equivalent N(3), one O(3), and one O(4) atom. Cr(1) is bonded in an octahedral geometry to two equivalent C(1), two equivalent C(2), and two equivalent C(3) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Cr(1) and one N(3) atom. In the second C site, C(2) is bonded in a linear geometry to one Cr(1) and one N(1) atom. In the third C site, C(3) is bonded in a linear geometry to one Cr(1) and one N(2) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one La(1) and one C(2) atom. In the second N site, N(2) is bonded in a linear geometry to one La(1) and one C(3) atom. In the third N site, N(3) is bonded in a linear geometry to one La(1) and one C(1) atom. There are four inequivalent O sites. In the first O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent O(1) atoms. In the second O site, O(3) is bonded in a single-bond geometry to one La(1) atom. In the third O site, O(4) is bonded in a distorted single-bond geometry to one La(1) and two equivalent O(1) atoms. In the fourth O site, O(1) is bonded in a single-bond geometry to one O(2) and one O(4) atom. is represented by the CIF file [CIF]
data_LaCrC6N6O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.567
_cell_length_b   8.087
_cell_length_c   8.143
_cell_angle_alpha   60.325
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   776.274
_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
  La  La0  1  0.250  0.333  0.336  1.0
  La  La1  1  0.750  0.667  0.664  1.0
  Cr  Cr2  1  0.500  0.000  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.000  1.0
  C  C4  1  0.414  0.753  0.103  1.0
  C  C5  1  0.413  0.109  0.138  1.0
  C  C6  1  0.415  0.138  0.756  1.0
  C  C7  1  0.914  0.247  0.897  1.0
  C  C8  1  0.913  0.891  0.862  1.0
  C  C9  1  0.915  0.862  0.244  1.0
  C  C10  1  0.586  0.247  0.897  1.0
  C  C11  1  0.587  0.891  0.862  1.0
  C  C12  1  0.585  0.862  0.244  1.0
  C  C13  1  0.086  0.753  0.103  1.0
  C  C14  1  0.087  0.109  0.138  1.0
  C  C15  1  0.085  0.138  0.756  1.0
  N  N16  1  0.366  0.172  0.215  1.0
  N  N17  1  0.370  0.218  0.616  1.0
  N  N18  1  0.367  0.613  0.168  1.0
  N  N19  1  0.866  0.828  0.785  1.0
  N  N20  1  0.870  0.782  0.384  1.0
  N  N21  1  0.867  0.387  0.832  1.0
  N  N22  1  0.634  0.828  0.785  1.0
  N  N23  1  0.630  0.782  0.384  1.0
  N  N24  1  0.633  0.387  0.832  1.0
  N  N25  1  0.134  0.172  0.215  1.0
  N  N26  1  0.130  0.218  0.616  1.0
  N  N27  1  0.133  0.613  0.168  1.0
  O  O28  1  0.670  0.334  0.383  1.0
  O  O29  1  0.170  0.666  0.617  1.0
  O  O30  1  0.330  0.666  0.617  1.0
  O  O31  1  0.830  0.334  0.383  1.0
  O  O32  1  0.250  0.607  0.575  1.0
  O  O33  1  0.250  0.495  0.943  1.0
  O  O34  1  0.250  0.896  0.593  1.0
  O  O35  1  0.750  0.393  0.425  1.0
  O  O36  1  0.750  0.505  0.057  1.0
  O  O37  1  0.750  0.104  0.407  1.0
[/CIF]
.
The material structure described by LaCrC6N6O5 crystallizes in the monoclinic P2_1/m space group. La(1) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(2), two equivalent N(3), one O(3), and one O(4) atom. Cr(1) is bonded in an octahedral geometry to two equivalent C(1), two equivalent C(2), and two equivalent C(3) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Cr(1) and one N(3) atom. In the second C site, C(2) is bonded in a linear geometry to one Cr(1) and one N(1) atom. In the third C site, C(3) is bonded in a linear geometry to one Cr(1) and one N(2) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one La(1) and one C(2) atom. In the second N site, N(2) is bonded in a linear geometry to one La(1) and one C(3) atom. In the third N site, N(3) is bonded in a linear geometry to one La(1) and one C(1) atom. There are four inequivalent O sites. In the first O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent O(1) atoms. In the second O site, O(3) is bonded in a single-bond geometry to one La(1) atom. In the third O site, O(4) is bonded in a distorted single-bond geometry to one La(1) and two equivalent O(1) atoms. In the fourth O site, O(1) is bonded in a single-bond geometry to one O(2) and one O(4) atom. is represented by the CIF file [CIF]
data_LaCrC6N6O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.567
_cell_length_b   8.087
_cell_length_c   8.143
_cell_angle_alpha   60.325
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   776.274
_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
  La  La0  1  0.250  0.333  0.336  1.0
  La  La1  1  0.750  0.667  0.664  1.0
  Cr  Cr2  1  0.500  0.000  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.000  1.0
  C  C4  1  0.414  0.753  0.103  1.0
  C  C5  1  0.413  0.109  0.138  1.0
  C  C6  1  0.415  0.138  0.756  1.0
  C  C7  1  0.914  0.247  0.897  1.0
  C  C8  1  0.913  0.891  0.862  1.0
  C  C9  1  0.915  0.862  0.244  1.0
  C  C10  1  0.586  0.247  0.897  1.0
  C  C11  1  0.587  0.891  0.862  1.0
  C  C12  1  0.585  0.862  0.244  1.0
  C  C13  1  0.086  0.753  0.103  1.0
  C  C14  1  0.087  0.109  0.138  1.0
  C  C15  1  0.085  0.138  0.756  1.0
  N  N16  1  0.366  0.172  0.215  1.0
  N  N17  1  0.370  0.218  0.616  1.0
  N  N18  1  0.367  0.613  0.168  1.0
  N  N19  1  0.866  0.828  0.785  1.0
  N  N20  1  0.870  0.782  0.384  1.0
  N  N21  1  0.867  0.387  0.832  1.0
  N  N22  1  0.634  0.828  0.785  1.0
  N  N23  1  0.630  0.782  0.384  1.0
  N  N24  1  0.633  0.387  0.832  1.0
  N  N25  1  0.134  0.172  0.215  1.0
  N  N26  1  0.130  0.218  0.616  1.0
  N  N27  1  0.133  0.613  0.168  1.0
  O  O28  1  0.670  0.334  0.383  1.0
  O  O29  1  0.170  0.666  0.617  1.0
  O  O30  1  0.330  0.666  0.617  1.0
  O  O31  1  0.830  0.334  0.383  1.0
  O  O32  1  0.250  0.607  0.575  1.0
  O  O33  1  0.250  0.495  0.943  1.0
  O  O34  1  0.250  0.896  0.593  1.0
  O  O35  1  0.750  0.393  0.425  1.0
  O  O36  1  0.750  0.505  0.057  1.0
  O  O37  1  0.750  0.104  0.407  1.0
[/CIF]
.