The material described by Li2Ca(MnN)2 crystallizes in the tetragonal P4/mbm space group. Li(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. Ca(1) is bonded in a square co-planar geometry to four equivalent N(1) atoms. Mn(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to three equivalent Li(1), two equivalent Ca(1), and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing NLi3Ca2Mn2 pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ca(MnN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.048
_cell_length_b   7.048
_cell_length_c   3.744
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   186.017
_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
  Li  Li0  1  0.116  0.616  0.000  1.0
  Li  Li1  1  0.884  0.384  0.000  1.0
  Li  Li2  1  0.616  0.884  0.000  1.0
  Li  Li3  1  0.384  0.116  0.000  1.0
  Ca  Ca4  1  0.000  0.000  0.000  1.0
  Ca  Ca5  1  0.500  0.500  0.000  1.0
  Mn  Mn6  1  0.675  0.175  0.500  1.0
  Mn  Mn7  1  0.325  0.825  0.500  1.0
  Mn  Mn8  1  0.175  0.325  0.500  1.0
  Mn  Mn9  1  0.825  0.675  0.500  1.0
  N  N10  1  0.676  0.176  0.000  1.0
  N  N11  1  0.324  0.824  0.000  1.0
  N  N12  1  0.176  0.324  0.000  1.0
  N  N13  1  0.824  0.676  0.000  1.0
[/CIF]
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The material described by Li2Ca(MnN)2 crystallizes in the tetragonal P4/mbm space group. Li(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. Ca(1) is bonded in a square co-planar geometry to four equivalent N(1) atoms. Mn(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to three equivalent Li(1), two equivalent Ca(1), and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing NLi3Ca2Mn2 pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ca(MnN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.048
_cell_length_b   7.048
_cell_length_c   3.744
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   186.017
_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
  Li  Li0  1  0.116  0.616  0.000  1.0
  Li  Li1  1  0.884  0.384  0.000  1.0
  Li  Li2  1  0.616  0.884  0.000  1.0
  Li  Li3  1  0.384  0.116  0.000  1.0
  Ca  Ca4  1  0.000  0.000  0.000  1.0
  Ca  Ca5  1  0.500  0.500  0.000  1.0
  Mn  Mn6  1  0.675  0.175  0.500  1.0
  Mn  Mn7  1  0.325  0.825  0.500  1.0
  Mn  Mn8  1  0.175  0.325  0.500  1.0
  Mn  Mn9  1  0.825  0.675  0.500  1.0
  N  N10  1  0.676  0.176  0.000  1.0
  N  N11  1  0.324  0.824  0.000  1.0
  N  N12  1  0.176  0.324  0.000  1.0
  N  N13  1  0.824  0.676  0.000  1.0
[/CIF]
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