The compound described by Sc(MnN)3 crystallizes in the monoclinic P2_1/m space group. Sc(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(3) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing MnN4 trigonal pyramids. In the second Mn site, Mn(2) is bonded in a distorted square co-planar geometry to one N(1), one N(3), and two equivalent N(2) atoms. In the third Mn site, Mn(3) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form a mixture of distorted corner and edge-sharing MnN4 trigonal pyramids. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Sc(1), one Mn(2), one Mn(3), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing NScMn4 square pyramids. In the second N site, N(2) is bonded to one Sc(1), one Mn(1), one Mn(3), and two equivalent Mn(2) atoms to form a mixture of distorted corner and edge-sharing NScMn4 square pyramids. In the third N site, N(3) is bonded to one Sc(1), one Mn(1), one Mn(2), and two equivalent Mn(3) atoms to form a mixture of distorted corner and edge-sharing NScMn4 square pyramids. is represented by the CIF card [CIF]
data_Sc(MnN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.412
_cell_length_b   7.403
_cell_length_c   3.785
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.638
_symmetry_Int_Tables_number   1
_cell_volume   178.719
_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
  Sc  Sc0  1  0.669  0.330  0.750  1.0
  Sc  Sc1  1  0.331  0.670  0.250  1.0
  Mn  Mn2  1  0.864  0.732  0.250  1.0
  Mn  Mn3  1  0.869  0.132  0.250  1.0
  Mn  Mn4  1  0.267  0.135  0.250  1.0
  Mn  Mn5  1  0.136  0.268  0.750  1.0
  Mn  Mn6  1  0.131  0.868  0.750  1.0
  Mn  Mn7  1  0.733  0.865  0.750  1.0
  N  N8  1  0.826  0.657  0.750  1.0
  N  N9  1  0.832  0.170  0.750  1.0
  N  N10  1  0.343  0.173  0.750  1.0
  N  N11  1  0.174  0.343  0.250  1.0
  N  N12  1  0.168  0.830  0.250  1.0
  N  N13  1  0.657  0.827  0.250  1.0
[/CIF]
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The compound described by Sc(MnN)3 crystallizes in the monoclinic P2_1/m space group. Sc(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(3) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing MnN4 trigonal pyramids. In the second Mn site, Mn(2) is bonded in a distorted square co-planar geometry to one N(1), one N(3), and two equivalent N(2) atoms. In the third Mn site, Mn(3) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form a mixture of distorted corner and edge-sharing MnN4 trigonal pyramids. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Sc(1), one Mn(2), one Mn(3), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing NScMn4 square pyramids. In the second N site, N(2) is bonded to one Sc(1), one Mn(1), one Mn(3), and two equivalent Mn(2) atoms to form a mixture of distorted corner and edge-sharing NScMn4 square pyramids. In the third N site, N(3) is bonded to one Sc(1), one Mn(1), one Mn(2), and two equivalent Mn(3) atoms to form a mixture of distorted corner and edge-sharing NScMn4 square pyramids. is represented by the CIF card [CIF]
data_Sc(MnN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.412
_cell_length_b   7.403
_cell_length_c   3.785
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.638
_symmetry_Int_Tables_number   1
_cell_volume   178.719
_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
  Sc  Sc0  1  0.669  0.330  0.750  1.0
  Sc  Sc1  1  0.331  0.670  0.250  1.0
  Mn  Mn2  1  0.864  0.732  0.250  1.0
  Mn  Mn3  1  0.869  0.132  0.250  1.0
  Mn  Mn4  1  0.267  0.135  0.250  1.0
  Mn  Mn5  1  0.136  0.268  0.750  1.0
  Mn  Mn6  1  0.131  0.868  0.750  1.0
  Mn  Mn7  1  0.733  0.865  0.750  1.0
  N  N8  1  0.826  0.657  0.750  1.0
  N  N9  1  0.832  0.170  0.750  1.0
  N  N10  1  0.343  0.173  0.750  1.0
  N  N11  1  0.174  0.343  0.250  1.0
  N  N12  1  0.168  0.830  0.250  1.0
  N  N13  1  0.657  0.827  0.250  1.0
[/CIF]
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