The material described by Mg2CO5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form edge-sharing MgO6 octahedra. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), two equivalent Mg(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mg(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Mg(2) atoms. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent Mg(2) atoms. is represented by the CIF card [CIF]
data_Mg2CO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.909
_cell_length_b   3.247
_cell_length_c   12.771
_cell_angle_alpha   83.325
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   366.931
_cell_formula_units_Z   4
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  0.494  0.987  0.292  1.0
  Mg  Mg1  1  0.994  0.013  0.208  1.0
  Mg  Mg2  1  0.506  0.013  0.708  1.0
  Mg  Mg3  1  0.006  0.987  0.792  1.0
  Mg  Mg4  1  0.717  0.584  0.082  1.0
  Mg  Mg5  1  0.217  0.416  0.418  1.0
  Mg  Mg6  1  0.283  0.416  0.918  1.0
  Mg  Mg7  1  0.783  0.584  0.582  1.0
  C  C8  1  0.773  0.531  0.344  1.0
  C  C9  1  0.273  0.469  0.156  1.0
  C  C10  1  0.227  0.469  0.656  1.0
  C  C11  1  0.727  0.531  0.844  1.0
  O  O12  1  0.630  0.464  0.346  1.0
  O  O13  1  0.130  0.536  0.154  1.0
  O  O14  1  0.370  0.536  0.654  1.0
  O  O15  1  0.870  0.464  0.846  1.0
  O  O16  1  0.848  0.502  0.257  1.0
  O  O17  1  0.348  0.498  0.243  1.0
  O  O18  1  0.152  0.498  0.743  1.0
  O  O19  1  0.652  0.502  0.757  1.0
  O  O20  1  0.841  0.645  0.424  1.0
  O  O21  1  0.341  0.355  0.076  1.0
  O  O22  1  0.159  0.355  0.576  1.0
  O  O23  1  0.659  0.645  0.924  1.0
  O  O24  1  0.603  0.053  0.149  1.0
  O  O25  1  0.103  0.947  0.351  1.0
  O  O26  1  0.397  0.947  0.851  1.0
  O  O27  1  0.897  0.053  0.649  1.0
  O  O28  1  0.855  0.086  0.081  1.0
  O  O29  1  0.355  0.914  0.419  1.0
  O  O30  1  0.145  0.914  0.919  1.0
  O  O31  1  0.645  0.086  0.581  1.0
[/CIF]
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The material described by Mg2CO5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form edge-sharing MgO6 octahedra. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), two equivalent Mg(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mg(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Mg(2) atoms. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent Mg(2) atoms. is represented by the CIF card [CIF]
data_Mg2CO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.909
_cell_length_b   3.247
_cell_length_c   12.771
_cell_angle_alpha   83.325
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   366.931
_cell_formula_units_Z   4
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  0.494  0.987  0.292  1.0
  Mg  Mg1  1  0.994  0.013  0.208  1.0
  Mg  Mg2  1  0.506  0.013  0.708  1.0
  Mg  Mg3  1  0.006  0.987  0.792  1.0
  Mg  Mg4  1  0.717  0.584  0.082  1.0
  Mg  Mg5  1  0.217  0.416  0.418  1.0
  Mg  Mg6  1  0.283  0.416  0.918  1.0
  Mg  Mg7  1  0.783  0.584  0.582  1.0
  C  C8  1  0.773  0.531  0.344  1.0
  C  C9  1  0.273  0.469  0.156  1.0
  C  C10  1  0.227  0.469  0.656  1.0
  C  C11  1  0.727  0.531  0.844  1.0
  O  O12  1  0.630  0.464  0.346  1.0
  O  O13  1  0.130  0.536  0.154  1.0
  O  O14  1  0.370  0.536  0.654  1.0
  O  O15  1  0.870  0.464  0.846  1.0
  O  O16  1  0.848  0.502  0.257  1.0
  O  O17  1  0.348  0.498  0.243  1.0
  O  O18  1  0.152  0.498  0.743  1.0
  O  O19  1  0.652  0.502  0.757  1.0
  O  O20  1  0.841  0.645  0.424  1.0
  O  O21  1  0.341  0.355  0.076  1.0
  O  O22  1  0.159  0.355  0.576  1.0
  O  O23  1  0.659  0.645  0.924  1.0
  O  O24  1  0.603  0.053  0.149  1.0
  O  O25  1  0.103  0.947  0.351  1.0
  O  O26  1  0.397  0.947  0.851  1.0
  O  O27  1  0.897  0.053  0.649  1.0
  O  O28  1  0.855  0.086  0.081  1.0
  O  O29  1  0.355  0.914  0.419  1.0
  O  O30  1  0.145  0.914  0.919  1.0
  O  O31  1  0.645  0.086  0.581  1.0
[/CIF]
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