data_FeSi7N10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69
_cell_length_b   6.9
_cell_length_c   9.72
_cell_angle_alpha   90.0
_cell_angle_beta   104.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi7N10
_chemical_formula_sum   'Fe2 Si14 N20'
_cell_volume   435.17
_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
  Fe  Fe0  1  0.02  0.34  0.64  1.0
  Fe  Fe1  1  0.2  0.56  0.92  1.0
  Si  Si2  1  0.69  0.77  0.75  1.0
  Si  Si3  1  0.87  0.13  0.04  1.0
  Si  Si4  1  0.29  0.15  0.19  1.0
  Si  Si5  1  0.1  0.75  0.9  1.0
  Si  Si6  1  0.56  0.77  0.7  1.0
  Si  Si7  1  0.37  0.13  0.41  1.0
  Si  Si8  1  0.07  0.5  0.32  1.0
  Si  Si9  1  0.25  0.39  0.61  1.0
  Si  Si10  1  0.75  0.25  0.6  1.0
  Si  Si11  1  0.94  0.64  0.89  1.0
  Si  Si12  1  0.9  0.28  0.3  1.0
  Si  Si13  1  0.08  0.62  0.59  1.0
  Si  Si14  1  0.62  0.53  0.45  1.0
  Si  Si15  1  0.81  0.37  0.74  1.0
  N  N16  1  0.13  0.86  0.61  1.0
  N  N17  1  0.31  0.04  0.9  1.0
  N  N18  1  0.41  0.95  0.12  1.0
  N  N19  1  0.59  0.95  0.41  1.0
  N  N20  1  0.05  0.01  0.15  1.0
  N  N21  1  0.23  0.89  0.44  1.0
  N  N22  1  0.89  0.09  0.47  1.0
  N  N23  1  0.7  0.81  0.18  1.0
  N  N24  1  0.22  0.49  0.8  1.0
  N  N25  1  0.41  0.41  0.09  1.0
  N  N26  1  0.4  0.83  0.31  1.0
  N  N27  1  0.58  0.07  0.6  1.0
  N  N28  1  0.58  0.65  0.21  1.0
  N  N29  1  0.4  0.25  0.93  1.0
  N  N30  1  0.29  0.92  0.81  1.0
  N  N31  1  0.47  0.98  0.09  1.0
  N  N32  1  0.74  0.86  0.75  1.0
  N  N33  1  0.92  0.04  0.03  1.0
  N  N34  1  0.28  0.75  0.19  1.0
  N  N35  1  0.1  0.15  0.9  1.0

data_FeSi7N10
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.69
_cell_length_b   6.9
_cell_length_c   9.72
_cell_angle_alpha   90.0
_cell_angle_beta   104.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi7N10
_chemical_formula_sum   'Fe2 Si14 N20'
_cell_volume   435.17
_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
  Fe  Fe0  1  0.02  0.34  0.64  1.0
  Fe  Fe1  1  0.2  0.56  0.92  1.0
  Si  Si2  1  0.07  0.5  0.32  1.0
  Si  Si3  1  0.08  0.62  0.59  1.0
  Si  Si4  1  0.1  0.75  0.9  1.0
  Si  Si5  1  0.25  0.39  0.61  1.0
  Si  Si6  1  0.29  0.15  0.19  1.0
  Si  Si7  1  0.37  0.13  0.41  1.0
  Si  Si8  1  0.56  0.77  0.7  1.0
  Si  Si9  1  0.62  0.53  0.45  1.0
  Si  Si10  1  0.69  0.77  0.75  1.0
  Si  Si11  1  0.75  0.25  0.6  1.0
  Si  Si12  1  0.81  0.37  0.74  1.0
  Si  Si13  1  0.87  0.13  0.04  1.0
  Si  Si14  1  0.9  0.28  0.3  1.0
  Si  Si15  1  0.94  0.64  0.89  1.0
  N  N16  1  0.05  0.01  0.15  1.0
  N  N17  1  0.1  0.15  0.9  1.0
  N  N18  1  0.13  0.86  0.61  1.0
  N  N19  1  0.22  0.49  0.8  1.0
  N  N20  1  0.23  0.89  0.44  1.0
  N  N21  1  0.28  0.75  0.19  1.0
  N  N22  1  0.29  0.92  0.81  1.0
  N  N23  1  0.31  0.04  0.9  1.0
  N  N24  1  0.4  0.25  0.93  1.0
  N  N25  1  0.4  0.83  0.31  1.0
  N  N26  1  0.41  0.95  0.12  1.0
  N  N27  1  0.41  0.41  0.09  1.0
  N  N28  1  0.47  0.98  0.09  1.0
  N  N29  1  0.58  0.65  0.21  1.0
  N  N30  1  0.58  0.07  0.6  1.0
  N  N31  1  0.59  0.95  0.41  1.0
  N  N32  1  0.7  0.81  0.18  1.0
  N  N33  1  0.74  0.86  0.75  1.0
  N  N34  1  0.89  0.09  0.47  1.0
  N  N35  1  0.92  0.04  0.03  1.0

Fe Fe Si Si Si Si Si Si Si Si Si Si Si Si Si Si N N N N N N N N N N N N N N N N N N N N
FeSi7N10 crystallizes in the triclinic P1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 7-coordinate geometry to one Si(12), one Si(14), one Si(8), one Si(9), one N(20), one N(7), and one N(9) atom. The Fe(1)-Si(12) bond length is 2.01 Å. The Fe(1)-Si(14) bond length is 1.93 Å. The Fe(1)-Si(8) bond length is 1.70 Å. The Fe(1)-Si(9) bond length is 1.83 Å. The Fe(1)-N(20) bond length is 2.80 Å. The Fe(1)-N(7) bond length is 2.42 Å. The Fe(1)-N(9) bond length is 2.13 Å. In the second Fe site, Fe(2) is bonded in a distorted single-bond geometry to one Si(4), one N(10), and one N(9) atom. The Fe(2)-Si(4) bond length is 1.47 Å. The Fe(2)-N(10) bond length is 2.13 Å. The Fe(2)-N(9) bond length is 1.29 Å. There are fourteen inequivalent Si sites. In the first Si site, Si(1) is bonded in a single-bond geometry to one Si(5) and one N(17) atom. The Si(1)-Si(5) bond length is 0.90 Å. The Si(1)-N(17) bond length is 0.71 Å. In the second Si site, Si(2) is bonded in a single-bond geometry to one N(18) and one N(5) atom. The Si(2)-N(18) bond length is 0.71 Å. The Si(2)-N(5) bond length is 1.57 Å. In the third Si site, Si(3) is bonded in a 3-coordinate geometry to one N(10), one N(3), and one N(5) atom. The Si(3)-N(10) bond length is 2.24 Å. The Si(3)-N(3) bond length is 1.84 Å. The Si(3)-N(5) bond length is 1.83 Å. In the fourth Si site, Si(4) is bonded in a 3-coordinate geometry to one Fe(2), one Si(10), and one N(15) atom. The Si(4)-Si(10) bond length is 1.30 Å. The Si(4)-N(15) bond length is 2.09 Å. In the fifth Si site, Si(5) is bonded in a 4-coordinate geometry to one Si(1), one N(12), one N(15), and one N(17) atom. The Si(5)-N(12) bond length is 2.34 Å. The Si(5)-N(15) bond length is 2.50 Å. The Si(5)-N(17) bond length is 1.36 Å. In the sixth Si site, Si(6) is bonded in a 3-coordinate geometry to one N(12), one N(4), and one N(6) atom. The Si(6)-N(12) bond length is 2.09 Å. The Si(6)-N(4) bond length is 1.93 Å. The Si(6)-N(6) bond length is 1.99 Å. In the seventh Si site, Si(7) is bonded in a distorted single-bond geometry to one Si(11) atom. The Si(7)-Si(11) bond length is 1.89 Å. In the eighth Si site, Si(8) is bonded in a 3-coordinate geometry to one Fe(1), one Si(12), and one N(9) atom. The Si(8)-Si(12) bond length is 1.89 Å. The Si(8)-N(9) bond length is 2.08 Å. In the ninth Si site, Si(9) is bonded in a 1-coordinate geometry to one Fe(1), one Si(14), one N(12), and one N(7) atom. The Si(9)-Si(14) bond length is 1.54 Å. The Si(9)-N(12) bond length is 1.70 Å. The Si(9)-N(7) bond length is 2.08 Å. In the tenth Si site, Si(10) is bonded in a distorted single-bond geometry to one Si(4) atom. In the eleventh Si site, Si(11) is bonded in a distorted single-bond geometry to one Si(7) and one N(7) atom. The Si(11)-N(7) bond length is 2.14 Å. In the twelfth Si site, Si(12) is bonded in a distorted single-bond geometry to one Fe(1), one Si(8), and one N(1) atom. The Si(12)-N(1) bond length is 1.69 Å. In the thirteenth Si site, Si(13) is bonded in a distorted single-bond geometry to one N(13) atom. The Si(13)-N(13) bond length is 2.41 Å. In the fourteenth Si site, Si(14) is bonded in a 2-coordinate geometry to one Fe(1) and one Si(9) atom. There are twenty inequivalent N sites. In the first N site, N(1) is bonded in a single-bond geometry to one Si(12) and one N(15) atom. The N(1)-N(15) bond length is 1.99 Å. In the second N site, N(2) is bonded in a 3-coordinate geometry to one N(14), one N(15), and one N(20) atom. The N(2)-N(14) bond length is 1.52 Å. The N(2)-N(15) bond length is 1.22 Å. The N(2)-N(20) bond length is 1.62 Å. In the third N site, N(3) is bonded in a distorted water-like geometry to one Si(3), one N(16), and one N(19) atom. The N(3)-N(16) bond length is 0.60 Å. The N(3)-N(19) bond length is 1.79 Å. In the fourth N site, N(4) is bonded in a 2-coordinate geometry to one Si(6) and one N(11) atom. The N(4)-N(11) bond length is 1.61 Å. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one Si(2), one Si(3), and one N(18) atom. The N(5)-N(18) bond length is 1.22 Å. In the sixth N site, N(6) is bonded in a distorted single-bond geometry to one Si(6) and one N(11) atom. The N(6)-N(11) bond length is 1.87 Å. In the seventh N site, N(7) is bonded in a 3-coordinate geometry to one Fe(1), one Si(11), and one Si(9) atom. In the eighth N site, N(8) is bonded in a distorted water-like geometry to one N(13) and one N(16) atom. The N(8)-N(13) bond length is 1.46 Å. The N(8)-N(16) bond length is 1.95 Å. In the ninth N site, N(9) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(2), and one Si(8) atom. In the tenth N site, N(10) is bonded in a distorted bent 120 degrees geometry to one Fe(2), one Si(3), and one N(14) atom. The N(10)-N(14) bond length is 1.94 Å. In the eleventh N site, N(11) is bonded in a 3-coordinate geometry to one N(19), one N(4), and one N(6) atom. The N(11)-N(19) bond length is 1.40 Å. In the twelfth N site, N(12) is bonded in a 1-coordinate geometry to one Si(5), one Si(6), and one Si(9) atom. In the thirteenth N site, N(13) is bonded in a distorted bent 120 degrees geometry to one Si(13) and one N(8) atom. In the fourteenth N site, N(14) is bonded in a 2-coordinate geometry to one N(10) and one N(2) atom. In the fifteenth N site, N(15) is bonded in a 4-coordinate geometry to one Si(4), one Si(5), one N(1), and one N(2) atom. In the sixteenth N site, N(16) is bonded in a single-bond geometry to one N(3) and one N(8) atom. In the seventeenth N site, N(17) is bonded in a single-bond geometry to one Si(1) and one Si(5) atom. In the eighteenth N site, N(18) is bonded in a single-bond geometry to one Si(2) and one N(5) atom. In the nineteenth N site, N(19) is bonded in a 2-coordinate geometry to one N(11) and one N(3) atom. In the twentieth N site, N(20) is bonded in a 1-coordinate geometry to one Fe(1) and one N(2) atom.