The compound described by Ca3Mg4Zn11 crystallizes in the hexagonal P6_3/mmc space group. Ca(1) is bonded in a 15-coordinate geometry to one Mg(1), four equivalent Mg(2), two equivalent Zn(2), two equivalent Zn(3), and six equivalent Zn(1) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 9-coordinate geometry to three equivalent Ca(1) and six equivalent Zn(1) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to four equivalent Ca(1), two equivalent Zn(2), two equivalent Zn(3), and four equivalent Zn(1) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 12-coordinate geometry to three equivalent Ca(1), one Mg(1), two equivalent Mg(2), one Zn(3), two equivalent Zn(2), and three equivalent Zn(1) atoms. In the second Zn site, Zn(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Ca(1), two equivalent Mg(2), two equivalent Zn(3), and four equivalent Zn(1) atoms. In the third Zn site, Zn(3) is bonded in a 12-coordinate geometry to three equivalent Ca(1), three equivalent Mg(2), three equivalent Zn(1), and three equivalent Zn(2) atoms. is represented by the CIF card [CIF]
data_Ca3Mg4Zn11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.344
_cell_length_b   9.344
_cell_length_c   9.354
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   707.336
_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
  Ca  Ca0  1  0.800  0.200  0.250  1.0
  Ca  Ca1  1  0.200  0.399  0.750  1.0
  Ca  Ca2  1  0.601  0.800  0.750  1.0
  Ca  Ca3  1  0.399  0.200  0.250  1.0
  Ca  Ca4  1  0.800  0.601  0.250  1.0
  Ca  Ca5  1  0.200  0.800  0.750  1.0
  Mg  Mg6  1  0.000  0.000  0.250  1.0
  Mg  Mg7  1  0.500  0.500  0.000  1.0
  Mg  Mg8  1  0.500  0.000  0.500  1.0
  Mg  Mg9  1  0.000  0.500  0.500  1.0
  Mg  Mg10  1  0.000  0.500  0.000  1.0
  Mg  Mg11  1  0.500  0.000  0.000  1.0
  Mg  Mg12  1  0.500  0.500  0.500  1.0
  Mg  Mg13  1  0.000  0.000  0.750  1.0
  Zn  Zn14  1  0.846  0.154  0.912  1.0
  Zn  Zn15  1  0.692  0.846  0.088  1.0
  Zn  Zn16  1  0.154  0.846  0.088  1.0
  Zn  Zn17  1  0.154  0.308  0.088  1.0
  Zn  Zn18  1  0.308  0.154  0.588  1.0
  Zn  Zn19  1  0.427  0.854  0.250  1.0
  Zn  Zn20  1  0.146  0.573  0.250  1.0
  Zn  Zn21  1  0.854  0.427  0.750  1.0
  Zn  Zn22  1  0.573  0.146  0.750  1.0
  Zn  Zn23  1  0.427  0.573  0.250  1.0
  Zn  Zn24  1  0.333  0.667  0.007  1.0
  Zn  Zn25  1  0.667  0.333  0.507  1.0
  Zn  Zn26  1  0.667  0.333  0.993  1.0
  Zn  Zn27  1  0.333  0.667  0.493  1.0
  Zn  Zn28  1  0.846  0.692  0.588  1.0
  Zn  Zn29  1  0.846  0.154  0.588  1.0
  Zn  Zn30  1  0.154  0.308  0.412  1.0
  Zn  Zn31  1  0.692  0.846  0.412  1.0
  Zn  Zn32  1  0.308  0.154  0.912  1.0
  Zn  Zn33  1  0.846  0.692  0.912  1.0
  Zn  Zn34  1  0.154  0.846  0.412  1.0
  Zn  Zn35  1  0.573  0.427  0.750  1.0
[/CIF]
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The compound described by Ca3Mg4Zn11 crystallizes in the hexagonal P6_3/mmc space group. Ca(1) is bonded in a 15-coordinate geometry to one Mg(1), four equivalent Mg(2), two equivalent Zn(2), two equivalent Zn(3), and six equivalent Zn(1) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 9-coordinate geometry to three equivalent Ca(1) and six equivalent Zn(1) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to four equivalent Ca(1), two equivalent Zn(2), two equivalent Zn(3), and four equivalent Zn(1) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 12-coordinate geometry to three equivalent Ca(1), one Mg(1), two equivalent Mg(2), one Zn(3), two equivalent Zn(2), and three equivalent Zn(1) atoms. In the second Zn site, Zn(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Ca(1), two equivalent Mg(2), two equivalent Zn(3), and four equivalent Zn(1) atoms. In the third Zn site, Zn(3) is bonded in a 12-coordinate geometry to three equivalent Ca(1), three equivalent Mg(2), three equivalent Zn(1), and three equivalent Zn(2) atoms. is represented by the CIF card [CIF]
data_Ca3Mg4Zn11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.344
_cell_length_b   9.344
_cell_length_c   9.354
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   707.336
_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
  Ca  Ca0  1  0.800  0.200  0.250  1.0
  Ca  Ca1  1  0.200  0.399  0.750  1.0
  Ca  Ca2  1  0.601  0.800  0.750  1.0
  Ca  Ca3  1  0.399  0.200  0.250  1.0
  Ca  Ca4  1  0.800  0.601  0.250  1.0
  Ca  Ca5  1  0.200  0.800  0.750  1.0
  Mg  Mg6  1  0.000  0.000  0.250  1.0
  Mg  Mg7  1  0.500  0.500  0.000  1.0
  Mg  Mg8  1  0.500  0.000  0.500  1.0
  Mg  Mg9  1  0.000  0.500  0.500  1.0
  Mg  Mg10  1  0.000  0.500  0.000  1.0
  Mg  Mg11  1  0.500  0.000  0.000  1.0
  Mg  Mg12  1  0.500  0.500  0.500  1.0
  Mg  Mg13  1  0.000  0.000  0.750  1.0
  Zn  Zn14  1  0.846  0.154  0.912  1.0
  Zn  Zn15  1  0.692  0.846  0.088  1.0
  Zn  Zn16  1  0.154  0.846  0.088  1.0
  Zn  Zn17  1  0.154  0.308  0.088  1.0
  Zn  Zn18  1  0.308  0.154  0.588  1.0
  Zn  Zn19  1  0.427  0.854  0.250  1.0
  Zn  Zn20  1  0.146  0.573  0.250  1.0
  Zn  Zn21  1  0.854  0.427  0.750  1.0
  Zn  Zn22  1  0.573  0.146  0.750  1.0
  Zn  Zn23  1  0.427  0.573  0.250  1.0
  Zn  Zn24  1  0.333  0.667  0.007  1.0
  Zn  Zn25  1  0.667  0.333  0.507  1.0
  Zn  Zn26  1  0.667  0.333  0.993  1.0
  Zn  Zn27  1  0.333  0.667  0.493  1.0
  Zn  Zn28  1  0.846  0.692  0.588  1.0
  Zn  Zn29  1  0.846  0.154  0.588  1.0
  Zn  Zn30  1  0.154  0.308  0.412  1.0
  Zn  Zn31  1  0.692  0.846  0.412  1.0
  Zn  Zn32  1  0.308  0.154  0.912  1.0
  Zn  Zn33  1  0.846  0.692  0.912  1.0
  Zn  Zn34  1  0.154  0.846  0.412  1.0
  Zn  Zn35  1  0.573  0.427  0.750  1.0
[/CIF]
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