The material described by Sm2Fe15Co2C3 crystallizes in the monoclinic Cm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted trigonal planar geometry to one Fe(5), one Fe(6), two equivalent Fe(4), one C(2), and two equivalent C(1) atoms. In the second Sm site, Sm(2) is bonded in a distorted trigonal planar geometry to one Fe(5), one Fe(7), two equivalent Fe(4), one C(2), and two equivalent C(1) atoms. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Fe(4), one Fe(5), one Fe(6), one Fe(7), and one C(1) atom. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(6), one Fe(7), two equivalent Fe(4), and one C(2) atom. In the third Fe site, Fe(3) is bonded in a single-bond geometry to one Fe(4), one Fe(5), one Fe(6), one Fe(7), and one C(1) atom. In the fourth Fe site, Fe(4) is bonded to one Sm(1), one Sm(2), one Fe(1), one Fe(10), one Fe(3), one Fe(6), one Fe(7), one Fe(8), one Fe(9), two equivalent Fe(2), and one Co(1) atom to form distorted FeSm2Fe9Co cuboctahedra that share corners with two equivalent Fe(5)Sm2Fe8Co2 cuboctahedra, corners with two equivalent Fe(4)Sm2Fe9Co cuboctahedra, corners with two equivalent C(1)Sm2Fe3Co octahedra, faces with two equivalent Fe(5)Sm2Fe8Co2 cuboctahedra, faces with two equivalent Fe(4)Sm2Fe9Co cuboctahedra, faces with two equivalent C(1)Sm2Fe3Co octahedra, and faces with two equivalent C(2)Sm2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 45-46°. In the fifth Fe site, Fe(5) is bonded to one Sm(1), one Sm(2), one Fe(6), one Fe(7), two equivalent Fe(1), two equivalent Fe(3), two equivalent Fe(9), and two equivalent Co(1) atoms to form distorted FeSm2Fe8Co2 cuboctahedra that share corners with four equivalent Fe(4)Sm2Fe9Co cuboctahedra, corners with two equivalent C(2)Sm2Fe4 octahedra, faces with four equivalent Fe(4)Sm2Fe9Co cuboctahedra, and faces with four equivalent C(1)Sm2Fe3Co octahedra. The corner-sharing octahedral tilt angles are 45°. In the sixth Fe site, Fe(6) is bonded in a 14-coordinate geometry to one Sm(1), one Fe(10), one Fe(5), one Fe(7), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(9) atoms. In the seventh Fe site, Fe(7) is bonded in a 14-coordinate geometry to one Sm(2), one Fe(5), one Fe(6), one Fe(8), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Co(1) atoms. In the eighth Fe site, Fe(8) is bonded in a single-bond geometry to one Fe(7), two equivalent Fe(4), and one C(2) atom. In the ninth Fe site, Fe(9) is bonded in a single-bond geometry to one Fe(4), one Fe(5), one Fe(6), and one C(1) atom. In the tenth Fe site, Fe(10) is bonded in a single-bond geometry to one Fe(6), two equivalent Fe(4), and one C(2) atom. Co(1) is bonded in a single-bond geometry to one Fe(4), one Fe(5), one Fe(7), and one C(1) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded to one Sm(1), one Sm(2), one Fe(1), one Fe(3), one Fe(9), and one Co(1) atom to form CSm2Fe3Co octahedra that share corners with two equivalent Fe(4)Sm2Fe9Co cuboctahedra, corners with two equivalent C(1)Sm2Fe3Co octahedra, corners with two equivalent C(2)Sm2Fe4 octahedra, faces with two equivalent Fe(5)Sm2Fe8Co2 cuboctahedra, and faces with two equivalent Fe(4)Sm2Fe9Co cuboctahedra. The corner-sharing octahedral tilt angles range from 60-61°. In the second C site, C(2) is bonded to one Sm(1), one Sm(2), one Fe(10), one Fe(8), and two equivalent Fe(2) atoms to form CSm2Fe4 octahedra that share corners with two equivalent Fe(5)Sm2Fe8Co2 cuboctahedra, corners with four equivalent C(1)Sm2Fe3Co octahedra, and faces with four equivalent Fe(4)Sm2Fe9Co cuboctahedra. The corner-sharing octahedral tilt angles are 60°. is represented by the CIF file [CIF]
data_Sm2Fe15Co2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.514
_cell_length_b   6.514
_cell_length_c   6.533
_cell_angle_alpha   83.774
_cell_angle_beta   83.774
_cell_angle_gamma   83.703
_symmetry_Int_Tables_number   1
_cell_volume   272.651
_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
  Sm  Sm0  1  0.654  0.654  0.654  1.0
  Sm  Sm1  1  0.346  0.346  0.346  1.0
  Fe  Fe2  1  0.283  0.999  0.717  1.0
  Fe  Fe3  1  0.716  0.284  0.000  1.0
  Fe  Fe4  1  1.000  0.716  0.283  1.0
  Fe  Fe5  1  0.284  0.716  0.000  1.0
  Fe  Fe6  1  0.999  0.283  0.717  1.0
  Fe  Fe7  1  0.716  1.000  0.283  1.0
  Fe  Fe8  1  0.000  0.499  0.001  1.0
  Fe  Fe9  1  0.000  0.000  0.499  1.0
  Fe  Fe10  1  0.499  0.000  0.001  1.0
  Fe  Fe11  1  0.905  0.905  0.904  1.0
  Fe  Fe12  1  0.095  0.095  0.095  1.0
  Fe  Fe13  1  0.342  0.342  0.857  1.0
  Fe  Fe14  1  0.142  0.657  0.658  1.0
  Fe  Fe15  1  0.657  0.142  0.658  1.0
  Fe  Fe16  1  0.659  0.659  0.142  1.0
  Co  Co17  1  0.862  0.342  0.343  1.0
  Co  Co18  1  0.342  0.862  0.343  1.0
  C  C19  1  0.499  1.000  0.499  1.0
  C  C20  1  0.500  0.500  0.000  1.0
  C  C21  1  1.000  0.499  0.499  1.0
[/CIF]
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The material described by Sm2Fe15Co2C3 crystallizes in the monoclinic Cm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted trigonal planar geometry to one Fe(5), one Fe(6), two equivalent Fe(4), one C(2), and two equivalent C(1) atoms. In the second Sm site, Sm(2) is bonded in a distorted trigonal planar geometry to one Fe(5), one Fe(7), two equivalent Fe(4), one C(2), and two equivalent C(1) atoms. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Fe(4), one Fe(5), one Fe(6), one Fe(7), and one C(1) atom. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(6), one Fe(7), two equivalent Fe(4), and one C(2) atom. In the third Fe site, Fe(3) is bonded in a single-bond geometry to one Fe(4), one Fe(5), one Fe(6), one Fe(7), and one C(1) atom. In the fourth Fe site, Fe(4) is bonded to one Sm(1), one Sm(2), one Fe(1), one Fe(10), one Fe(3), one Fe(6), one Fe(7), one Fe(8), one Fe(9), two equivalent Fe(2), and one Co(1) atom to form distorted FeSm2Fe9Co cuboctahedra that share corners with two equivalent Fe(5)Sm2Fe8Co2 cuboctahedra, corners with two equivalent Fe(4)Sm2Fe9Co cuboctahedra, corners with two equivalent C(1)Sm2Fe3Co octahedra, faces with two equivalent Fe(5)Sm2Fe8Co2 cuboctahedra, faces with two equivalent Fe(4)Sm2Fe9Co cuboctahedra, faces with two equivalent C(1)Sm2Fe3Co octahedra, and faces with two equivalent C(2)Sm2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 45-46°. In the fifth Fe site, Fe(5) is bonded to one Sm(1), one Sm(2), one Fe(6), one Fe(7), two equivalent Fe(1), two equivalent Fe(3), two equivalent Fe(9), and two equivalent Co(1) atoms to form distorted FeSm2Fe8Co2 cuboctahedra that share corners with four equivalent Fe(4)Sm2Fe9Co cuboctahedra, corners with two equivalent C(2)Sm2Fe4 octahedra, faces with four equivalent Fe(4)Sm2Fe9Co cuboctahedra, and faces with four equivalent C(1)Sm2Fe3Co octahedra. The corner-sharing octahedral tilt angles are 45°. In the sixth Fe site, Fe(6) is bonded in a 14-coordinate geometry to one Sm(1), one Fe(10), one Fe(5), one Fe(7), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(9) atoms. In the seventh Fe site, Fe(7) is bonded in a 14-coordinate geometry to one Sm(2), one Fe(5), one Fe(6), one Fe(8), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Co(1) atoms. In the eighth Fe site, Fe(8) is bonded in a single-bond geometry to one Fe(7), two equivalent Fe(4), and one C(2) atom. In the ninth Fe site, Fe(9) is bonded in a single-bond geometry to one Fe(4), one Fe(5), one Fe(6), and one C(1) atom. In the tenth Fe site, Fe(10) is bonded in a single-bond geometry to one Fe(6), two equivalent Fe(4), and one C(2) atom. Co(1) is bonded in a single-bond geometry to one Fe(4), one Fe(5), one Fe(7), and one C(1) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded to one Sm(1), one Sm(2), one Fe(1), one Fe(3), one Fe(9), and one Co(1) atom to form CSm2Fe3Co octahedra that share corners with two equivalent Fe(4)Sm2Fe9Co cuboctahedra, corners with two equivalent C(1)Sm2Fe3Co octahedra, corners with two equivalent C(2)Sm2Fe4 octahedra, faces with two equivalent Fe(5)Sm2Fe8Co2 cuboctahedra, and faces with two equivalent Fe(4)Sm2Fe9Co cuboctahedra. The corner-sharing octahedral tilt angles range from 60-61°. In the second C site, C(2) is bonded to one Sm(1), one Sm(2), one Fe(10), one Fe(8), and two equivalent Fe(2) atoms to form CSm2Fe4 octahedra that share corners with two equivalent Fe(5)Sm2Fe8Co2 cuboctahedra, corners with four equivalent C(1)Sm2Fe3Co octahedra, and faces with four equivalent Fe(4)Sm2Fe9Co cuboctahedra. The corner-sharing octahedral tilt angles are 60°. is represented by the CIF file [CIF]
data_Sm2Fe15Co2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.514
_cell_length_b   6.514
_cell_length_c   6.533
_cell_angle_alpha   83.774
_cell_angle_beta   83.774
_cell_angle_gamma   83.703
_symmetry_Int_Tables_number   1
_cell_volume   272.651
_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
  Sm  Sm0  1  0.654  0.654  0.654  1.0
  Sm  Sm1  1  0.346  0.346  0.346  1.0
  Fe  Fe2  1  0.283  0.999  0.717  1.0
  Fe  Fe3  1  0.716  0.284  0.000  1.0
  Fe  Fe4  1  1.000  0.716  0.283  1.0
  Fe  Fe5  1  0.284  0.716  0.000  1.0
  Fe  Fe6  1  0.999  0.283  0.717  1.0
  Fe  Fe7  1  0.716  1.000  0.283  1.0
  Fe  Fe8  1  0.000  0.499  0.001  1.0
  Fe  Fe9  1  0.000  0.000  0.499  1.0
  Fe  Fe10  1  0.499  0.000  0.001  1.0
  Fe  Fe11  1  0.905  0.905  0.904  1.0
  Fe  Fe12  1  0.095  0.095  0.095  1.0
  Fe  Fe13  1  0.342  0.342  0.857  1.0
  Fe  Fe14  1  0.142  0.657  0.658  1.0
  Fe  Fe15  1  0.657  0.142  0.658  1.0
  Fe  Fe16  1  0.659  0.659  0.142  1.0
  Co  Co17  1  0.862  0.342  0.343  1.0
  Co  Co18  1  0.342  0.862  0.343  1.0
  C  C19  1  0.499  1.000  0.499  1.0
  C  C20  1  0.500  0.500  0.000  1.0
  C  C21  1  1.000  0.499  0.499  1.0
[/CIF]
.