The material described by MgHo2Cu(SiO3)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one Cu(1), one O(11), one O(2), one O(3), and one O(8) atom. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(5), one O(6), and one O(8) atom. In the second Ho site, Ho(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(5), one O(6), and one O(7) atom. Cu(1) is bonded in a 2-coordinate geometry to one Mg(1), one O(1), and one O(7) atom. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(4), one O(6), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(10), one O(2), one O(3), and one O(5) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(11), one O(3), one O(8), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(10), one O(12), one O(4), and one O(7) atom to form corner-sharing SiO4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ho(1), one Cu(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ho(2), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Si(2), and one Si(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ho(1), one Ho(2), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ho(1), one Ho(2), and one Si(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Ho(2), one Cu(1), and one Si(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Ho(1), and one Si(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Ho(1), one Si(2), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Mg(1), one Ho(1), one Ho(2), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ho(1), one Ho(2), and one Si(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho2MgCu(SiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.224
_cell_length_b   7.285
_cell_length_c   7.712
_cell_angle_alpha   63.438
_cell_angle_beta   88.056
_cell_angle_gamma   81.224
_symmetry_Int_Tables_number   1
_cell_volume   259.275
_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
  Ho  Ho0  1  0.003  0.788  0.423  1.0
  Ho  Ho1  1  0.970  0.215  0.588  1.0
  Mg  Mg2  1  0.912  0.225  0.029  1.0
  Cu  Cu3  1  0.171  0.926  0.994  1.0
  Si  Si4  1  0.574  0.588  0.226  1.0
  Si  Si5  1  0.400  0.436  0.775  1.0
  Si  Si6  1  0.406  0.199  0.228  1.0
  Si  Si7  1  0.564  0.823  0.767  1.0
  O  O8  1  0.327  0.739  0.247  1.0
  O  O9  1  0.687  0.308  0.789  1.0
  O  O10  1  0.278  0.352  0.999  1.0
  O  O11  1  0.652  0.654  0.997  1.0
  O  O12  1  0.167  0.444  0.639  1.0
  O  O13  1  0.825  0.558  0.359  1.0
  O  O14  1  0.339  0.013  0.744  1.0
  O  O15  1  0.667  0.051  0.224  1.0
  O  O16  1  0.501  0.349  0.315  1.0
  O  O17  1  0.426  0.686  0.682  1.0
  O  O18  1  0.145  0.113  0.338  1.0
  O  O19  1  0.819  0.902  0.645  1.0
[/CIF]
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The material described by MgHo2Cu(SiO3)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one Cu(1), one O(11), one O(2), one O(3), and one O(8) atom. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(5), one O(6), and one O(8) atom. In the second Ho site, Ho(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(5), one O(6), and one O(7) atom. Cu(1) is bonded in a 2-coordinate geometry to one Mg(1), one O(1), and one O(7) atom. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(4), one O(6), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(10), one O(2), one O(3), and one O(5) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(11), one O(3), one O(8), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(10), one O(12), one O(4), and one O(7) atom to form corner-sharing SiO4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ho(1), one Cu(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ho(2), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Si(2), and one Si(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ho(1), one Ho(2), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ho(1), one Ho(2), and one Si(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Ho(2), one Cu(1), and one Si(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Ho(1), and one Si(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Ho(1), one Si(2), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Mg(1), one Ho(1), one Ho(2), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ho(1), one Ho(2), and one Si(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho2MgCu(SiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.224
_cell_length_b   7.285
_cell_length_c   7.712
_cell_angle_alpha   63.438
_cell_angle_beta   88.056
_cell_angle_gamma   81.224
_symmetry_Int_Tables_number   1
_cell_volume   259.275
_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
  Ho  Ho0  1  0.003  0.788  0.423  1.0
  Ho  Ho1  1  0.970  0.215  0.588  1.0
  Mg  Mg2  1  0.912  0.225  0.029  1.0
  Cu  Cu3  1  0.171  0.926  0.994  1.0
  Si  Si4  1  0.574  0.588  0.226  1.0
  Si  Si5  1  0.400  0.436  0.775  1.0
  Si  Si6  1  0.406  0.199  0.228  1.0
  Si  Si7  1  0.564  0.823  0.767  1.0
  O  O8  1  0.327  0.739  0.247  1.0
  O  O9  1  0.687  0.308  0.789  1.0
  O  O10  1  0.278  0.352  0.999  1.0
  O  O11  1  0.652  0.654  0.997  1.0
  O  O12  1  0.167  0.444  0.639  1.0
  O  O13  1  0.825  0.558  0.359  1.0
  O  O14  1  0.339  0.013  0.744  1.0
  O  O15  1  0.667  0.051  0.224  1.0
  O  O16  1  0.501  0.349  0.315  1.0
  O  O17  1  0.426  0.686  0.682  1.0
  O  O18  1  0.145  0.113  0.338  1.0
  O  O19  1  0.819  0.902  0.645  1.0
[/CIF]
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