The material described by MgCu3(SnO3)4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 4-coordinate geometry to one Cu(1), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one Mg(1), one O(4), two equivalent O(1), and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the third Cu site, Cu(3) is bonded in a rectangular see-saw-like geometry to one O(4), one O(5), one O(7), and one O(8) atom. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 41-45°. In the second Sn site, Sn(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 41-45°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), one Cu(2), one Sn(1), and one Sn(2) atom to form distorted OCu2Sn2 trigonal pyramids that share corners with four equivalent O(2)MgCuSn2 trigonal pyramids and  an edgeedge with one O(1)Cu2Sn2 trigonal pyramid. In the second O site, O(2) is bonded to one Mg(1), one Cu(2), one Sn(1), and one Sn(2) atom to form OMgCuSn2 trigonal pyramids that share corners with four equivalent O(1)Cu2Sn2 trigonal pyramids and  an edgeedge with one O(2)MgCuSn2 trigonal pyramid. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Cu(1), one Sn(1), and one Sn(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(3), and two equivalent Sn(1) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Cu(3) and two equivalent Sn(2) atoms. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(1), one Sn(1), and one Sn(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cu(3) and two equivalent Sn(1) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cu(3) and two equivalent Sn(2) atoms. is represented by the CIF card [CIF]
data_MgCu3(SnO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.669
_cell_length_b   6.985
_cell_length_c   6.986
_cell_angle_alpha   111.268
_cell_angle_beta   110.952
_cell_angle_gamma   108.058
_symmetry_Int_Tables_number   1
_cell_volume   244.409
_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  0.413  0.546  0.868  1.0
  Cu  Cu1  1  0.574  0.438  0.137  1.0
  Cu  Cu2  1  0.004  0.512  0.492  1.0
  Cu  Cu3  1  0.496  0.006  0.490  1.0
  Sn  Sn4  1  0.494  0.506  0.491  1.0
  Sn  Sn5  1  0.991  0.510  0.985  1.0
  Sn  Sn6  1  0.991  0.006  0.480  1.0
  Sn  Sn7  1  0.494  0.004  0.988  1.0
  O  O8  1  0.818  0.339  0.131  1.0
  O  O9  1  0.180  0.677  0.849  1.0
  O  O10  1  0.818  0.687  0.479  1.0
  O  O11  1  0.324  0.511  0.173  1.0
  O  O12  1  0.494  0.190  0.304  1.0
  O  O13  1  0.136  0.833  0.303  1.0
  O  O14  1  0.678  0.875  0.162  1.0
  O  O15  1  0.485  0.814  0.671  1.0
  O  O16  1  0.180  0.330  0.503  1.0
  O  O17  1  0.678  0.516  0.803  1.0
  O  O18  1  0.858  0.180  0.678  1.0
  O  O19  1  0.324  0.151  0.813  1.0
[/CIF]
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The material described by MgCu3(SnO3)4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 4-coordinate geometry to one Cu(1), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one Mg(1), one O(4), two equivalent O(1), and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the third Cu site, Cu(3) is bonded in a rectangular see-saw-like geometry to one O(4), one O(5), one O(7), and one O(8) atom. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 41-45°. In the second Sn site, Sn(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 41-45°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), one Cu(2), one Sn(1), and one Sn(2) atom to form distorted OCu2Sn2 trigonal pyramids that share corners with four equivalent O(2)MgCuSn2 trigonal pyramids and  an edgeedge with one O(1)Cu2Sn2 trigonal pyramid. In the second O site, O(2) is bonded to one Mg(1), one Cu(2), one Sn(1), and one Sn(2) atom to form OMgCuSn2 trigonal pyramids that share corners with four equivalent O(1)Cu2Sn2 trigonal pyramids and  an edgeedge with one O(2)MgCuSn2 trigonal pyramid. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Cu(1), one Sn(1), and one Sn(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(3), and two equivalent Sn(1) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Cu(3) and two equivalent Sn(2) atoms. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(1), one Sn(1), and one Sn(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cu(3) and two equivalent Sn(1) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cu(3) and two equivalent Sn(2) atoms. is represented by the CIF card [CIF]
data_MgCu3(SnO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.669
_cell_length_b   6.985
_cell_length_c   6.986
_cell_angle_alpha   111.268
_cell_angle_beta   110.952
_cell_angle_gamma   108.058
_symmetry_Int_Tables_number   1
_cell_volume   244.409
_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  0.413  0.546  0.868  1.0
  Cu  Cu1  1  0.574  0.438  0.137  1.0
  Cu  Cu2  1  0.004  0.512  0.492  1.0
  Cu  Cu3  1  0.496  0.006  0.490  1.0
  Sn  Sn4  1  0.494  0.506  0.491  1.0
  Sn  Sn5  1  0.991  0.510  0.985  1.0
  Sn  Sn6  1  0.991  0.006  0.480  1.0
  Sn  Sn7  1  0.494  0.004  0.988  1.0
  O  O8  1  0.818  0.339  0.131  1.0
  O  O9  1  0.180  0.677  0.849  1.0
  O  O10  1  0.818  0.687  0.479  1.0
  O  O11  1  0.324  0.511  0.173  1.0
  O  O12  1  0.494  0.190  0.304  1.0
  O  O13  1  0.136  0.833  0.303  1.0
  O  O14  1  0.678  0.875  0.162  1.0
  O  O15  1  0.485  0.814  0.671  1.0
  O  O16  1  0.180  0.330  0.503  1.0
  O  O17  1  0.678  0.516  0.803  1.0
  O  O18  1  0.858  0.180  0.678  1.0
  O  O19  1  0.324  0.151  0.813  1.0
[/CIF]
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