The structure described by Sr8Mn3N8 crystallizes in the monoclinic C2/m space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one N(2), two equivalent N(1), and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing SrN5 square pyramids. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one N(3), one N(4), and three equivalent N(2) atoms. In the third Sr site, Sr(3) is bonded in a 5-coordinate geometry to one N(3), two equivalent N(1), and two equivalent N(4) atoms. In the fourth Sr site, Sr(4) is bonded to one N(1), one N(2), and three equivalent N(3) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a linear geometry to two equivalent N(4) atoms. In the second Mn site, Mn(2) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(3) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Sr(4), two equivalent Sr(1), two equivalent Sr(3), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing NSr5Mn octahedra. The corner-sharing octahedral tilt angles range from 18-48°. In the second N site, N(2) is bonded to one Sr(1), one Sr(4), three equivalent Sr(2), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing NSr5Mn octahedra. The corner-sharing octahedral tilt angles range from 18-48°. In the third N site, N(3) is bonded to one Sr(2), one Sr(3), three equivalent Sr(4), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing NSr5Mn octahedra. The corner-sharing octahedral tilt angles range from 20-21°. In the fourth N site, N(4) is bonded in a 6-coordinate geometry to one Sr(2), two equivalent Sr(1), two equivalent Sr(3), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Sr8Mn3N8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.785
_cell_length_b   5.333
_cell_length_c   7.544
_cell_angle_alpha   90.000
_cell_angle_beta   74.171
_cell_angle_gamma   74.186
_symmetry_Int_Tables_number   1
_cell_volume   363.286
_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  0.057  0.971  0.734  1.0
  Sr  Sr1  1  0.943  0.029  0.266  1.0
  Sr  Sr2  1  0.664  0.668  0.472  1.0
  Sr  Sr3  1  0.336  0.332  0.528  1.0
  Sr  Sr4  1  0.800  0.600  0.953  1.0
  Sr  Sr5  1  0.200  0.400  0.047  1.0
  Sr  Sr6  1  0.400  0.800  0.196  1.0
  Sr  Sr7  1  0.600  0.200  0.804  1.0
  Mn  Mn8  1  0.000  0.500  0.500  1.0
  Mn  Mn9  1  0.371  0.814  0.797  1.0
  Mn  Mn10  1  0.629  0.186  0.203  1.0
  N  N11  1  0.210  0.895  0.988  1.0
  N  N12  1  0.790  0.105  0.012  1.0
  N  N13  1  0.355  0.822  0.573  1.0
  N  N14  1  0.645  0.178  0.427  1.0
  N  N15  1  0.548  0.726  0.832  1.0
  N  N16  1  0.452  0.274  0.168  1.0
  N  N17  1  0.951  0.525  0.295  1.0
  N  N18  1  0.049  0.475  0.705  1.0
[/CIF]
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The structure described by Sr8Mn3N8 crystallizes in the monoclinic C2/m space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one N(2), two equivalent N(1), and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing SrN5 square pyramids. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one N(3), one N(4), and three equivalent N(2) atoms. In the third Sr site, Sr(3) is bonded in a 5-coordinate geometry to one N(3), two equivalent N(1), and two equivalent N(4) atoms. In the fourth Sr site, Sr(4) is bonded to one N(1), one N(2), and three equivalent N(3) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a linear geometry to two equivalent N(4) atoms. In the second Mn site, Mn(2) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(3) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Sr(4), two equivalent Sr(1), two equivalent Sr(3), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing NSr5Mn octahedra. The corner-sharing octahedral tilt angles range from 18-48°. In the second N site, N(2) is bonded to one Sr(1), one Sr(4), three equivalent Sr(2), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing NSr5Mn octahedra. The corner-sharing octahedral tilt angles range from 18-48°. In the third N site, N(3) is bonded to one Sr(2), one Sr(3), three equivalent Sr(4), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing NSr5Mn octahedra. The corner-sharing octahedral tilt angles range from 20-21°. In the fourth N site, N(4) is bonded in a 6-coordinate geometry to one Sr(2), two equivalent Sr(1), two equivalent Sr(3), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Sr8Mn3N8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.785
_cell_length_b   5.333
_cell_length_c   7.544
_cell_angle_alpha   90.000
_cell_angle_beta   74.171
_cell_angle_gamma   74.186
_symmetry_Int_Tables_number   1
_cell_volume   363.286
_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  0.057  0.971  0.734  1.0
  Sr  Sr1  1  0.943  0.029  0.266  1.0
  Sr  Sr2  1  0.664  0.668  0.472  1.0
  Sr  Sr3  1  0.336  0.332  0.528  1.0
  Sr  Sr4  1  0.800  0.600  0.953  1.0
  Sr  Sr5  1  0.200  0.400  0.047  1.0
  Sr  Sr6  1  0.400  0.800  0.196  1.0
  Sr  Sr7  1  0.600  0.200  0.804  1.0
  Mn  Mn8  1  0.000  0.500  0.500  1.0
  Mn  Mn9  1  0.371  0.814  0.797  1.0
  Mn  Mn10  1  0.629  0.186  0.203  1.0
  N  N11  1  0.210  0.895  0.988  1.0
  N  N12  1  0.790  0.105  0.012  1.0
  N  N13  1  0.355  0.822  0.573  1.0
  N  N14  1  0.645  0.178  0.427  1.0
  N  N15  1  0.548  0.726  0.832  1.0
  N  N16  1  0.452  0.274  0.168  1.0
  N  N17  1  0.951  0.525  0.295  1.0
  N  N18  1  0.049  0.475  0.705  1.0
[/CIF]
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