The structure described by GaSi3C3N is Stannite-like structured and crystallizes in the monoclinic Pm space group. Ga(1) is bonded to one C(1), one C(2), and two equivalent N(1) atoms to form GaC2N2 tetrahedra that share corners with two equivalent Ga(1)C2N2 tetrahedra, corners with two equivalent Si(3)C4 tetrahedra, corners with four equivalent Si(1)C3N tetrahedra, and corners with four equivalent Si(2)C3N tetrahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one C(3), two equivalent C(1), and one N(1) atom to form SiC3N tetrahedra that share corners with two equivalent Si(1)C3N tetrahedra, corners with two equivalent Si(2)C3N tetrahedra, corners with four equivalent Ga(1)C2N2 tetrahedra, and corners with four equivalent Si(3)C4 tetrahedra. In the second Si site, Si(2) is bonded to one C(3), two equivalent C(2), and one N(1) atom to form SiC3N tetrahedra that share corners with two equivalent Si(1)C3N tetrahedra, corners with two equivalent Si(2)C3N tetrahedra, corners with four equivalent Ga(1)C2N2 tetrahedra, and corners with four equivalent Si(3)C4 tetrahedra. In the third Si site, Si(3) is bonded to one C(1), one C(2), and two equivalent C(3) atoms to form SiC4 tetrahedra that share corners with two equivalent Ga(1)C2N2 tetrahedra, corners with two equivalent Si(3)C4 tetrahedra, corners with four equivalent Si(1)C3N tetrahedra, and corners with four equivalent Si(2)C3N tetrahedra. There are three inequivalent C sites. In the first C site, C(1) is bonded to one Ga(1), one Si(3), and two equivalent Si(1) atoms to form CGaSi3 tetrahedra that share corners with two equivalent C(1)GaSi3 tetrahedra, corners with two equivalent C(2)GaSi3 tetrahedra, corners with four equivalent C(3)Si4 tetrahedra, and corners with four equivalent N(1)Ga2Si2 tetrahedra. In the second C site, C(2) is bonded to one Ga(1), one Si(3), and two equivalent Si(2) atoms to form CGaSi3 tetrahedra that share corners with two equivalent C(1)GaSi3 tetrahedra, corners with two equivalent C(2)GaSi3 tetrahedra, corners with four equivalent C(3)Si4 tetrahedra, and corners with four equivalent N(1)Ga2Si2 tetrahedra. In the third C site, C(3) is bonded to one Si(1), one Si(2), and two equivalent Si(3) atoms to form CSi4 tetrahedra that share corners with two equivalent C(3)Si4 tetrahedra, corners with two equivalent N(1)Ga2Si2 tetrahedra, corners with four equivalent C(1)GaSi3 tetrahedra, and corners with four equivalent C(2)GaSi3 tetrahedra. N(1) is bonded to two equivalent Ga(1), one Si(1), and one Si(2) atom to form NGa2Si2 tetrahedra that share corners with two equivalent C(3)Si4 tetrahedra, corners with two equivalent N(1)Ga2Si2 tetrahedra, corners with four equivalent C(1)GaSi3 tetrahedra, and corners with four equivalent C(2)GaSi3 tetrahedra. is represented by the CIF card [CIF]
data_GaSi3C3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.112
_cell_length_b   5.106
_cell_length_c   5.399
_cell_angle_alpha   89.752
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   85.772
_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
  Ga  Ga0  1  0.500  0.491  0.163  1.0
  Si  Si1  1  0.000  0.992  0.337  1.0
  Si  Si2  1  0.000  0.503  0.665  1.0
  Si  Si3  1  0.500  0.999  0.831  1.0
  C  C4  1  0.500  0.096  0.169  1.0
  C  C5  1  0.500  0.629  0.815  1.0
  C  C6  1  0.000  0.128  0.665  1.0
  N  N7  1  0.000  0.634  0.354  1.0
[/CIF]
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The structure described by GaSi3C3N is Stannite-like structured and crystallizes in the monoclinic Pm space group. Ga(1) is bonded to one C(1), one C(2), and two equivalent N(1) atoms to form GaC2N2 tetrahedra that share corners with two equivalent Ga(1)C2N2 tetrahedra, corners with two equivalent Si(3)C4 tetrahedra, corners with four equivalent Si(1)C3N tetrahedra, and corners with four equivalent Si(2)C3N tetrahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one C(3), two equivalent C(1), and one N(1) atom to form SiC3N tetrahedra that share corners with two equivalent Si(1)C3N tetrahedra, corners with two equivalent Si(2)C3N tetrahedra, corners with four equivalent Ga(1)C2N2 tetrahedra, and corners with four equivalent Si(3)C4 tetrahedra. In the second Si site, Si(2) is bonded to one C(3), two equivalent C(2), and one N(1) atom to form SiC3N tetrahedra that share corners with two equivalent Si(1)C3N tetrahedra, corners with two equivalent Si(2)C3N tetrahedra, corners with four equivalent Ga(1)C2N2 tetrahedra, and corners with four equivalent Si(3)C4 tetrahedra. In the third Si site, Si(3) is bonded to one C(1), one C(2), and two equivalent C(3) atoms to form SiC4 tetrahedra that share corners with two equivalent Ga(1)C2N2 tetrahedra, corners with two equivalent Si(3)C4 tetrahedra, corners with four equivalent Si(1)C3N tetrahedra, and corners with four equivalent Si(2)C3N tetrahedra. There are three inequivalent C sites. In the first C site, C(1) is bonded to one Ga(1), one Si(3), and two equivalent Si(1) atoms to form CGaSi3 tetrahedra that share corners with two equivalent C(1)GaSi3 tetrahedra, corners with two equivalent C(2)GaSi3 tetrahedra, corners with four equivalent C(3)Si4 tetrahedra, and corners with four equivalent N(1)Ga2Si2 tetrahedra. In the second C site, C(2) is bonded to one Ga(1), one Si(3), and two equivalent Si(2) atoms to form CGaSi3 tetrahedra that share corners with two equivalent C(1)GaSi3 tetrahedra, corners with two equivalent C(2)GaSi3 tetrahedra, corners with four equivalent C(3)Si4 tetrahedra, and corners with four equivalent N(1)Ga2Si2 tetrahedra. In the third C site, C(3) is bonded to one Si(1), one Si(2), and two equivalent Si(3) atoms to form CSi4 tetrahedra that share corners with two equivalent C(3)Si4 tetrahedra, corners with two equivalent N(1)Ga2Si2 tetrahedra, corners with four equivalent C(1)GaSi3 tetrahedra, and corners with four equivalent C(2)GaSi3 tetrahedra. N(1) is bonded to two equivalent Ga(1), one Si(1), and one Si(2) atom to form NGa2Si2 tetrahedra that share corners with two equivalent C(3)Si4 tetrahedra, corners with two equivalent N(1)Ga2Si2 tetrahedra, corners with four equivalent C(1)GaSi3 tetrahedra, and corners with four equivalent C(2)GaSi3 tetrahedra. is represented by the CIF card [CIF]
data_GaSi3C3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.112
_cell_length_b   5.106
_cell_length_c   5.399
_cell_angle_alpha   89.752
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   85.772
_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
  Ga  Ga0  1  0.500  0.491  0.163  1.0
  Si  Si1  1  0.000  0.992  0.337  1.0
  Si  Si2  1  0.000  0.503  0.665  1.0
  Si  Si3  1  0.500  0.999  0.831  1.0
  C  C4  1  0.500  0.096  0.169  1.0
  C  C5  1  0.500  0.629  0.815  1.0
  C  C6  1  0.000  0.128  0.665  1.0
  N  N7  1  0.000  0.634  0.354  1.0
[/CIF]
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