The structure described by Sr3LaC2N4F5 crystallizes in the monoclinic Cm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to two equivalent N(1), one F(1), one F(2), one F(3), and two equivalent F(4) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one N(1), one N(2), one F(1), one F(2), one F(3), and two equivalent F(4) atoms. La(1) is bonded in a 7-coordinate geometry to two equivalent N(2), one F(1), one F(2), one F(3), and two equivalent F(4) atoms. C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), and one C(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to one Sr(2), one La(1), and one C(1) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Sr(1), two equivalent Sr(2), and one La(1) atom to form a mixture of corner and edge-sharing FSr3La tetrahedra. In the second F site, F(2) is bonded to one Sr(1), two equivalent Sr(2), and one La(1) atom to form a mixture of corner and edge-sharing FSr3La tetrahedra. In the third F site, F(3) is bonded to one Sr(1), two equivalent Sr(2), and one La(1) atom to form a mixture of corner and edge-sharing FSr3La tetrahedra. In the fourth F site, F(4) is bonded to one Sr(1), two equivalent Sr(2), and one La(1) atom to form a mixture of corner and edge-sharing FSr3La tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3LaC2N4F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.656
_cell_length_b   6.656
_cell_length_c   6.676
_cell_angle_alpha   75.768
_cell_angle_beta   75.768
_cell_angle_gamma   120.283
_symmetry_Int_Tables_number   1
_cell_volume   222.092
_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
  Sr  Sr0  1  0.583  0.583  0.326  1.0
  Sr  Sr1  1  0.091  0.417  1.000  1.0
  Sr  Sr2  1  0.417  0.091  1.000  1.0
  La  La3  1  0.912  0.912  0.679  1.0
  C  C4  1  0.497  0.999  0.501  1.0
  C  C5  1  0.999  0.497  0.501  1.0
  N  N6  1  0.654  0.000  0.355  1.0
  N  N7  1  0.339  0.997  0.648  1.0
  N  N8  1  0.000  0.654  0.355  1.0
  N  N9  1  0.997  0.339  0.648  1.0
  F  F10  1  0.998  0.998  0.992  1.0
  F  F11  1  0.225  0.225  0.279  1.0
  F  F12  1  0.511  0.511  0.730  1.0
  F  F13  1  0.770  0.507  0.993  1.0
  F  F14  1  0.507  0.770  0.993  1.0
[/CIF]
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The structure described by Sr3LaC2N4F5 crystallizes in the monoclinic Cm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to two equivalent N(1), one F(1), one F(2), one F(3), and two equivalent F(4) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one N(1), one N(2), one F(1), one F(2), one F(3), and two equivalent F(4) atoms. La(1) is bonded in a 7-coordinate geometry to two equivalent N(2), one F(1), one F(2), one F(3), and two equivalent F(4) atoms. C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), and one C(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to one Sr(2), one La(1), and one C(1) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Sr(1), two equivalent Sr(2), and one La(1) atom to form a mixture of corner and edge-sharing FSr3La tetrahedra. In the second F site, F(2) is bonded to one Sr(1), two equivalent Sr(2), and one La(1) atom to form a mixture of corner and edge-sharing FSr3La tetrahedra. In the third F site, F(3) is bonded to one Sr(1), two equivalent Sr(2), and one La(1) atom to form a mixture of corner and edge-sharing FSr3La tetrahedra. In the fourth F site, F(4) is bonded to one Sr(1), two equivalent Sr(2), and one La(1) atom to form a mixture of corner and edge-sharing FSr3La tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3LaC2N4F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.656
_cell_length_b   6.656
_cell_length_c   6.676
_cell_angle_alpha   75.768
_cell_angle_beta   75.768
_cell_angle_gamma   120.283
_symmetry_Int_Tables_number   1
_cell_volume   222.092
_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
  Sr  Sr0  1  0.583  0.583  0.326  1.0
  Sr  Sr1  1  0.091  0.417  1.000  1.0
  Sr  Sr2  1  0.417  0.091  1.000  1.0
  La  La3  1  0.912  0.912  0.679  1.0
  C  C4  1  0.497  0.999  0.501  1.0
  C  C5  1  0.999  0.497  0.501  1.0
  N  N6  1  0.654  0.000  0.355  1.0
  N  N7  1  0.339  0.997  0.648  1.0
  N  N8  1  0.000  0.654  0.355  1.0
  N  N9  1  0.997  0.339  0.648  1.0
  F  F10  1  0.998  0.998  0.992  1.0
  F  F11  1  0.225  0.225  0.279  1.0
  F  F12  1  0.511  0.511  0.730  1.0
  F  F13  1  0.770  0.507  0.993  1.0
  F  F14  1  0.507  0.770  0.993  1.0
[/CIF]
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