The material described by BaTmCo4O7 crystallizes in the monoclinic Cc space group. Ba(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. Tm(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form TmO6 octahedra that share corners with three equivalent Co(1)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra, corners with three equivalent Co(3)O4 tetrahedra, and corners with three equivalent Co(4)O4 tetrahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Tm(1)O6 octahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-60°. In the second Co site, Co(2) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Tm(1)O6 octahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-60°. In the third Co site, Co(3) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form CoO4 tetrahedra that share corners with three equivalent Tm(1)O6 octahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-60°. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CoO4 tetrahedra that share corners with three equivalent Tm(1)O6 octahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Tm(1), one Co(2), and one Co(3) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Tm(1), one Co(1), and one Co(3) atom. In the third O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Tm(1), one Co(1), and one Co(2) atom. In the fourth O site, O(1) is bonded in a tetrahedral geometry to one Co(1), one Co(2), one Co(3), and one Co(4) atom. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Tm(1), one Co(1), and one Co(4) atom. In the sixth O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Tm(1), one Co(2), and one Co(4) atom. In the seventh O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Tm(1), one Co(3), and one Co(4) atom. is represented by the CIF card [CIF]
data_BaTmCo4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.363
_cell_length_b   6.363
_cell_length_c   10.235
_cell_angle_alpha   89.749
_cell_angle_beta   89.749
_cell_angle_gamma   119.581
_symmetry_Int_Tables_number   1
_cell_volume   360.380
_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
  Ba  Ba0  1  0.332  0.665  0.998  1.0
  Ba  Ba1  1  0.665  0.332  0.498  1.0
  Tm  Tm2  1  0.332  0.667  0.372  1.0
  Tm  Tm3  1  0.667  0.332  0.872  1.0
  Co  Co4  1  0.336  0.155  0.192  1.0
  Co  Co5  1  0.818  0.663  0.190  1.0
  Co  Co6  1  0.845  0.185  0.190  1.0
  Co  Co7  1  0.155  0.336  0.692  1.0
  Co  Co8  1  0.663  0.818  0.690  1.0
  Co  Co9  1  0.185  0.845  0.690  1.0
  Co  Co10  1  0.998  0.996  0.949  1.0
  Co  Co11  1  0.996  0.998  0.449  1.0
  O  O12  1  0.998  0.995  0.759  1.0
  O  O13  1  0.995  0.998  0.259  1.0
  O  O14  1  0.324  0.122  0.999  1.0
  O  O15  1  0.786  0.675  0.996  1.0
  O  O16  1  0.892  0.216  0.998  1.0
  O  O17  1  0.122  0.324  0.499  1.0
  O  O18  1  0.675  0.786  0.496  1.0
  O  O19  1  0.216  0.892  0.498  1.0
  O  O20  1  0.003  0.517  0.254  1.0
  O  O21  1  0.514  0.997  0.252  1.0
  O  O22  1  0.484  0.486  0.252  1.0
  O  O23  1  0.517  0.003  0.754  1.0
  O  O24  1  0.997  0.514  0.752  1.0
  O  O25  1  0.486  0.484  0.752  1.0
[/CIF]
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The material described by BaTmCo4O7 crystallizes in the monoclinic Cc space group. Ba(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. Tm(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form TmO6 octahedra that share corners with three equivalent Co(1)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra, corners with three equivalent Co(3)O4 tetrahedra, and corners with three equivalent Co(4)O4 tetrahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Tm(1)O6 octahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-60°. In the second Co site, Co(2) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Tm(1)O6 octahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-60°. In the third Co site, Co(3) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form CoO4 tetrahedra that share corners with three equivalent Tm(1)O6 octahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-60°. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CoO4 tetrahedra that share corners with three equivalent Tm(1)O6 octahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Tm(1), one Co(2), and one Co(3) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Tm(1), one Co(1), and one Co(3) atom. In the third O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Tm(1), one Co(1), and one Co(2) atom. In the fourth O site, O(1) is bonded in a tetrahedral geometry to one Co(1), one Co(2), one Co(3), and one Co(4) atom. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Tm(1), one Co(1), and one Co(4) atom. In the sixth O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Tm(1), one Co(2), and one Co(4) atom. In the seventh O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Tm(1), one Co(3), and one Co(4) atom. is represented by the CIF card [CIF]
data_BaTmCo4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.363
_cell_length_b   6.363
_cell_length_c   10.235
_cell_angle_alpha   89.749
_cell_angle_beta   89.749
_cell_angle_gamma   119.581
_symmetry_Int_Tables_number   1
_cell_volume   360.380
_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
  Ba  Ba0  1  0.332  0.665  0.998  1.0
  Ba  Ba1  1  0.665  0.332  0.498  1.0
  Tm  Tm2  1  0.332  0.667  0.372  1.0
  Tm  Tm3  1  0.667  0.332  0.872  1.0
  Co  Co4  1  0.336  0.155  0.192  1.0
  Co  Co5  1  0.818  0.663  0.190  1.0
  Co  Co6  1  0.845  0.185  0.190  1.0
  Co  Co7  1  0.155  0.336  0.692  1.0
  Co  Co8  1  0.663  0.818  0.690  1.0
  Co  Co9  1  0.185  0.845  0.690  1.0
  Co  Co10  1  0.998  0.996  0.949  1.0
  Co  Co11  1  0.996  0.998  0.449  1.0
  O  O12  1  0.998  0.995  0.759  1.0
  O  O13  1  0.995  0.998  0.259  1.0
  O  O14  1  0.324  0.122  0.999  1.0
  O  O15  1  0.786  0.675  0.996  1.0
  O  O16  1  0.892  0.216  0.998  1.0
  O  O17  1  0.122  0.324  0.499  1.0
  O  O18  1  0.675  0.786  0.496  1.0
  O  O19  1  0.216  0.892  0.498  1.0
  O  O20  1  0.003  0.517  0.254  1.0
  O  O21  1  0.514  0.997  0.252  1.0
  O  O22  1  0.484  0.486  0.252  1.0
  O  O23  1  0.517  0.003  0.754  1.0
  O  O24  1  0.997  0.514  0.752  1.0
  O  O25  1  0.486  0.484  0.752  1.0
[/CIF]
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