The material described by Mn2RhCoAs2 crystallizes in the monoclinic Pm space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 11-coordinate geometry to two equivalent Rh(1), two equivalent Rh(2), two equivalent Co(1), one As(5), two equivalent As(2), and two equivalent As(3) atoms. In the second Mn site, Mn(2) is bonded in a 11-coordinate geometry to two equivalent Rh(3), two equivalent Co(2), two equivalent Co(3), one As(6), two equivalent As(1), and two equivalent As(4) atoms. In the third Mn site, Mn(3) is bonded in a 11-coordinate geometry to two equivalent Rh(2), two equivalent Co(1), two equivalent Co(3), one As(5), two equivalent As(1), and two equivalent As(3) atoms. In the fourth Mn site, Mn(4) is bonded in a 11-coordinate geometry to two equivalent Rh(1), two equivalent Rh(3), two equivalent Co(2), one As(6), two equivalent As(2), and two equivalent As(4) atoms. In the fifth Mn site, Mn(5) is bonded in a 11-coordinate geometry to two equivalent Rh(2), two equivalent Co(2), two equivalent Co(3), one As(6), two equivalent As(1), and two equivalent As(3) atoms. In the sixth Mn site, Mn(6) is bonded in a 11-coordinate geometry to two equivalent Rh(1), two equivalent Rh(3), two equivalent Co(1), one As(5), two equivalent As(2), and two equivalent As(4) atoms. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 11-coordinate geometry to two equivalent Mn(1), two equivalent Mn(4), two equivalent Mn(6), one Co(1), one As(2), one As(4), and two equivalent As(5) atoms. In the second Rh site, Rh(2) is bonded in a 11-coordinate geometry to two equivalent Mn(1), two equivalent Mn(3), two equivalent Mn(5), one Co(1), one As(1), one As(3), and two equivalent As(5) atoms. In the third Rh site, Rh(3) is bonded to two equivalent Mn(2), two equivalent Mn(4), two equivalent Mn(6), one Co(2), one Co(3), one As(2), one As(4), and two equivalent As(6) atoms to form distorted face-sharing RhMn6Co2As4 cuboctahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 12-coordinate geometry to two equivalent Mn(1), two equivalent Mn(3), two equivalent Mn(6), one Rh(1), one Rh(2), one As(2), one As(3), and two equivalent As(5) atoms. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to two equivalent Mn(2), two equivalent Mn(4), two equivalent Mn(5), one Rh(3), one As(1), one As(4), and two equivalent As(6) atoms. In the third Co site, Co(3) is bonded in a 4-coordinate geometry to two equivalent Mn(2), two equivalent Mn(3), two equivalent Mn(5), one Rh(3), one As(1), one As(3), and two equivalent As(6) atoms. There are six inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to two equivalent Mn(2), two equivalent Mn(3), two equivalent Mn(5), one Rh(2), one Co(2), and one Co(3) atom. In the second As site, As(2) is bonded in a 9-coordinate geometry to two equivalent Mn(1), two equivalent Mn(4), two equivalent Mn(6), one Rh(1), one Rh(3), and one Co(1) atom. In the third As site, As(3) is bonded in a 9-coordinate geometry to two equivalent Mn(1), two equivalent Mn(3), two equivalent Mn(5), one Rh(2), one Co(1), and one Co(3) atom. In the fourth As site, As(4) is bonded in a 9-coordinate geometry to two equivalent Mn(2), two equivalent Mn(4), two equivalent Mn(6), one Rh(1), one Rh(3), and one Co(2) atom. In the fifth As site, As(5) is bonded in a 9-coordinate geometry to one Mn(1), one Mn(3), one Mn(6), two equivalent Rh(1), two equivalent Rh(2), and two equivalent Co(1) atoms. In the sixth As site, As(6) is bonded in a 9-coordinate geometry to one Mn(2), one Mn(4), one Mn(5), two equivalent Rh(3), two equivalent Co(2), and two equivalent Co(3) atoms. is represented by the CIF card [CIF]
data_Mn2CoAs2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.630
_cell_length_b   6.270
_cell_length_c   11.032
_cell_angle_alpha   90.609
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   251.052
_cell_formula_units_Z   3
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
  Mn  Mn0  1  0.500  0.587  0.002  1.0
  Mn  Mn1  1  0.500  0.092  0.497  1.0
  Mn  Mn2  1  0.500  0.208  0.206  1.0
  Mn  Mn3  1  0.500  0.702  0.699  1.0
  Mn  Mn4  1  0.500  0.701  0.298  1.0
  Mn  Mn5  1  0.500  0.205  0.798  1.0
  Co  Co6  1  0.000  0.262  0.002  1.0
  Co  Co7  1  0.000  0.757  0.496  1.0
  Co  Co8  1  0.000  0.373  0.371  1.0
  As  As9  1  0.000  0.004  0.341  1.0
  As  As10  1  0.000  0.489  0.838  1.0
  As  As11  1  0.000  0.488  0.171  1.0
  As  As12  1  0.000  0.991  0.660  1.0
  As  As13  1  0.500  0.020  0.002  1.0
  As  As14  1  0.500  0.507  0.490  1.0
  Rh  Rh15  1  0.000  0.871  0.869  1.0
  Rh  Rh16  1  0.000  0.870  0.133  1.0
  Rh  Rh17  1  0.000  0.373  0.627  1.0
[/CIF]
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The material described by Mn2RhCoAs2 crystallizes in the monoclinic Pm space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 11-coordinate geometry to two equivalent Rh(1), two equivalent Rh(2), two equivalent Co(1), one As(5), two equivalent As(2), and two equivalent As(3) atoms. In the second Mn site, Mn(2) is bonded in a 11-coordinate geometry to two equivalent Rh(3), two equivalent Co(2), two equivalent Co(3), one As(6), two equivalent As(1), and two equivalent As(4) atoms. In the third Mn site, Mn(3) is bonded in a 11-coordinate geometry to two equivalent Rh(2), two equivalent Co(1), two equivalent Co(3), one As(5), two equivalent As(1), and two equivalent As(3) atoms. In the fourth Mn site, Mn(4) is bonded in a 11-coordinate geometry to two equivalent Rh(1), two equivalent Rh(3), two equivalent Co(2), one As(6), two equivalent As(2), and two equivalent As(4) atoms. In the fifth Mn site, Mn(5) is bonded in a 11-coordinate geometry to two equivalent Rh(2), two equivalent Co(2), two equivalent Co(3), one As(6), two equivalent As(1), and two equivalent As(3) atoms. In the sixth Mn site, Mn(6) is bonded in a 11-coordinate geometry to two equivalent Rh(1), two equivalent Rh(3), two equivalent Co(1), one As(5), two equivalent As(2), and two equivalent As(4) atoms. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 11-coordinate geometry to two equivalent Mn(1), two equivalent Mn(4), two equivalent Mn(6), one Co(1), one As(2), one As(4), and two equivalent As(5) atoms. In the second Rh site, Rh(2) is bonded in a 11-coordinate geometry to two equivalent Mn(1), two equivalent Mn(3), two equivalent Mn(5), one Co(1), one As(1), one As(3), and two equivalent As(5) atoms. In the third Rh site, Rh(3) is bonded to two equivalent Mn(2), two equivalent Mn(4), two equivalent Mn(6), one Co(2), one Co(3), one As(2), one As(4), and two equivalent As(6) atoms to form distorted face-sharing RhMn6Co2As4 cuboctahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 12-coordinate geometry to two equivalent Mn(1), two equivalent Mn(3), two equivalent Mn(6), one Rh(1), one Rh(2), one As(2), one As(3), and two equivalent As(5) atoms. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to two equivalent Mn(2), two equivalent Mn(4), two equivalent Mn(5), one Rh(3), one As(1), one As(4), and two equivalent As(6) atoms. In the third Co site, Co(3) is bonded in a 4-coordinate geometry to two equivalent Mn(2), two equivalent Mn(3), two equivalent Mn(5), one Rh(3), one As(1), one As(3), and two equivalent As(6) atoms. There are six inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to two equivalent Mn(2), two equivalent Mn(3), two equivalent Mn(5), one Rh(2), one Co(2), and one Co(3) atom. In the second As site, As(2) is bonded in a 9-coordinate geometry to two equivalent Mn(1), two equivalent Mn(4), two equivalent Mn(6), one Rh(1), one Rh(3), and one Co(1) atom. In the third As site, As(3) is bonded in a 9-coordinate geometry to two equivalent Mn(1), two equivalent Mn(3), two equivalent Mn(5), one Rh(2), one Co(1), and one Co(3) atom. In the fourth As site, As(4) is bonded in a 9-coordinate geometry to two equivalent Mn(2), two equivalent Mn(4), two equivalent Mn(6), one Rh(1), one Rh(3), and one Co(2) atom. In the fifth As site, As(5) is bonded in a 9-coordinate geometry to one Mn(1), one Mn(3), one Mn(6), two equivalent Rh(1), two equivalent Rh(2), and two equivalent Co(1) atoms. In the sixth As site, As(6) is bonded in a 9-coordinate geometry to one Mn(2), one Mn(4), one Mn(5), two equivalent Rh(3), two equivalent Co(2), and two equivalent Co(3) atoms. is represented by the CIF card [CIF]
data_Mn2CoAs2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.630
_cell_length_b   6.270
_cell_length_c   11.032
_cell_angle_alpha   90.609
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   251.052
_cell_formula_units_Z   3
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
  Mn  Mn0  1  0.500  0.587  0.002  1.0
  Mn  Mn1  1  0.500  0.092  0.497  1.0
  Mn  Mn2  1  0.500  0.208  0.206  1.0
  Mn  Mn3  1  0.500  0.702  0.699  1.0
  Mn  Mn4  1  0.500  0.701  0.298  1.0
  Mn  Mn5  1  0.500  0.205  0.798  1.0
  Co  Co6  1  0.000  0.262  0.002  1.0
  Co  Co7  1  0.000  0.757  0.496  1.0
  Co  Co8  1  0.000  0.373  0.371  1.0
  As  As9  1  0.000  0.004  0.341  1.0
  As  As10  1  0.000  0.489  0.838  1.0
  As  As11  1  0.000  0.488  0.171  1.0
  As  As12  1  0.000  0.991  0.660  1.0
  As  As13  1  0.500  0.020  0.002  1.0
  As  As14  1  0.500  0.507  0.490  1.0
  Rh  Rh15  1  0.000  0.871  0.869  1.0
  Rh  Rh16  1  0.000  0.870  0.133  1.0
  Rh  Rh17  1  0.000  0.373  0.627  1.0
[/CIF]
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