The material described by MgCo2(SO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted MgO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent S(1)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-48°. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(2), one O(3), one O(5), and one O(8) atom to form distorted CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent S(1)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-43°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form SO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-55°. In the second S site, S(2) is bonded to one O(10), one O(5), one O(6), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-52°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Co(1) and one Co(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(2), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Co(2), and one S(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one S(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(2), and one S(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one S(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Co(2) and one S(2) atom. is represented by the CIF card [CIF]
data_MgCo2(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.311
_cell_length_b   5.570
_cell_length_c   7.557
_cell_angle_alpha   113.857
_cell_angle_beta   111.714
_cell_angle_gamma   95.521
_symmetry_Int_Tables_number   1
_cell_volume   181.798
_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
  Mg  Mg0  1  0.484  0.605  0.215  1.0
  Co  Co1  1  0.999  0.482  0.513  1.0
  Co  Co2  1  0.510  0.012  0.993  1.0
  S  S3  1  0.090  0.880  0.260  1.0
  S  S4  1  0.914  0.140  0.757  1.0
  O  O5  1  0.672  0.330  0.261  1.0
  O  O6  1  0.325  0.699  0.751  1.0
  O  O7  1  0.771  0.787  0.138  1.0
  O  O8  1  0.185  0.169  0.424  1.0
  O  O9  1  0.233  0.237  0.897  1.0
  O  O10  1  0.827  0.856  0.574  1.0
  O  O11  1  0.188  0.693  0.351  1.0
  O  O12  1  0.225  0.840  0.111  1.0
  O  O13  1  0.836  0.330  0.667  1.0
  O  O14  1  0.782  0.154  0.899  1.0
[/CIF]
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The material described by MgCo2(SO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted MgO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent S(1)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-48°. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(2), one O(3), one O(5), and one O(8) atom to form distorted CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent S(1)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-43°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form SO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-55°. In the second S site, S(2) is bonded to one O(10), one O(5), one O(6), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-52°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Co(1) and one Co(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(2), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Co(2), and one S(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one S(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(2), and one S(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one S(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Co(2) and one S(2) atom. is represented by the CIF card [CIF]
data_MgCo2(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.311
_cell_length_b   5.570
_cell_length_c   7.557
_cell_angle_alpha   113.857
_cell_angle_beta   111.714
_cell_angle_gamma   95.521
_symmetry_Int_Tables_number   1
_cell_volume   181.798
_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
  Mg  Mg0  1  0.484  0.605  0.215  1.0
  Co  Co1  1  0.999  0.482  0.513  1.0
  Co  Co2  1  0.510  0.012  0.993  1.0
  S  S3  1  0.090  0.880  0.260  1.0
  S  S4  1  0.914  0.140  0.757  1.0
  O  O5  1  0.672  0.330  0.261  1.0
  O  O6  1  0.325  0.699  0.751  1.0
  O  O7  1  0.771  0.787  0.138  1.0
  O  O8  1  0.185  0.169  0.424  1.0
  O  O9  1  0.233  0.237  0.897  1.0
  O  O10  1  0.827  0.856  0.574  1.0
  O  O11  1  0.188  0.693  0.351  1.0
  O  O12  1  0.225  0.840  0.111  1.0
  O  O13  1  0.836  0.330  0.667  1.0
  O  O14  1  0.782  0.154  0.899  1.0
[/CIF]
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