The material structure described by Mg2CoH5 crystallizes in the tetragonal P4/nmm space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a body-centered cubic geometry to eight equivalent H(2) atoms. In the second Mg site, Mg(1) is bonded in a body-centered cubic geometry to eight equivalent H(2) atoms. In the third Mg site, Mg(2) is bonded to four equivalent H(1) and eight equivalent H(2) atoms to form MgH12 cuboctahedra that share corners with four equivalent Mg(2)H12 cuboctahedra; faces with four equivalent Mg(2)H12 cuboctahedra; and faces with four Co(1,1)H5 square pyramids. In the fourth Mg site, Mg(2) is bonded to four equivalent H(1) and eight equivalent H(2) atoms to form MgH12 cuboctahedra that share corners with four equivalent Mg(2)H12 cuboctahedra; faces with four equivalent Mg(2)H12 cuboctahedra; and faces with four Co(1,1)H5 square pyramids. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one H(1) and four equivalent H(2) atoms to form CoH5 square pyramids that share faces with four Mg(2,2)H12 cuboctahedra. In the second Co site, Co(1) is bonded to one H(1) and four equivalent H(2) atoms to form CoH5 square pyramids that share faces with four Mg(2,2)H12 cuboctahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded to four Mg(2,2) and one Co(1) atom to form a mixture of corner and edge-sharing HMg4Co square pyramids. In the second H site, H(2) is bonded in a 5-coordinate geometry to two Mg(1,1); two Mg(2,2); and one Co(1) atom. is represented by the CIF card [CIF]
data_Mg2CoH5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.411
_cell_length_b   4.411
_cell_length_c   6.533
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   127.116
_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
  Mg  Mg0  1  0.750  0.250  0.000  1.0
  Mg  Mg1  1  0.250  0.750  0.000  1.0
  Mg  Mg2  1  0.750  0.250  0.500  1.0
  Mg  Mg3  1  0.250  0.750  0.500  1.0
  Co  Co4  1  0.750  0.750  0.742  1.0
  Co  Co5  1  0.250  0.250  0.258  1.0
  H  H6  1  0.750  0.750  0.506  1.0
  H  H7  1  0.250  0.250  0.494  1.0
  H  H8  1  0.991  0.991  0.771  1.0
  H  H9  1  0.509  0.991  0.771  1.0
  H  H10  1  0.991  0.509  0.771  1.0
  H  H11  1  0.509  0.509  0.771  1.0
  H  H12  1  0.009  0.009  0.229  1.0
  H  H13  1  0.491  0.009  0.229  1.0
  H  H14  1  0.009  0.491  0.229  1.0
  H  H15  1  0.491  0.491  0.229  1.0
[/CIF]
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The material structure described by Mg2CoH5 crystallizes in the tetragonal P4/nmm space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a body-centered cubic geometry to eight equivalent H(2) atoms. In the second Mg site, Mg(1) is bonded in a body-centered cubic geometry to eight equivalent H(2) atoms. In the third Mg site, Mg(2) is bonded to four equivalent H(1) and eight equivalent H(2) atoms to form MgH12 cuboctahedra that share corners with four equivalent Mg(2)H12 cuboctahedra; faces with four equivalent Mg(2)H12 cuboctahedra; and faces with four Co(1,1)H5 square pyramids. In the fourth Mg site, Mg(2) is bonded to four equivalent H(1) and eight equivalent H(2) atoms to form MgH12 cuboctahedra that share corners with four equivalent Mg(2)H12 cuboctahedra; faces with four equivalent Mg(2)H12 cuboctahedra; and faces with four Co(1,1)H5 square pyramids. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one H(1) and four equivalent H(2) atoms to form CoH5 square pyramids that share faces with four Mg(2,2)H12 cuboctahedra. In the second Co site, Co(1) is bonded to one H(1) and four equivalent H(2) atoms to form CoH5 square pyramids that share faces with four Mg(2,2)H12 cuboctahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded to four Mg(2,2) and one Co(1) atom to form a mixture of corner and edge-sharing HMg4Co square pyramids. In the second H site, H(2) is bonded in a 5-coordinate geometry to two Mg(1,1); two Mg(2,2); and one Co(1) atom. is represented by the CIF card [CIF]
data_Mg2CoH5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.411
_cell_length_b   4.411
_cell_length_c   6.533
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   127.116
_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
  Mg  Mg0  1  0.750  0.250  0.000  1.0
  Mg  Mg1  1  0.250  0.750  0.000  1.0
  Mg  Mg2  1  0.750  0.250  0.500  1.0
  Mg  Mg3  1  0.250  0.750  0.500  1.0
  Co  Co4  1  0.750  0.750  0.742  1.0
  Co  Co5  1  0.250  0.250  0.258  1.0
  H  H6  1  0.750  0.750  0.506  1.0
  H  H7  1  0.250  0.250  0.494  1.0
  H  H8  1  0.991  0.991  0.771  1.0
  H  H9  1  0.509  0.991  0.771  1.0
  H  H10  1  0.991  0.509  0.771  1.0
  H  H11  1  0.509  0.509  0.771  1.0
  H  H12  1  0.009  0.009  0.229  1.0
  H  H13  1  0.491  0.009  0.229  1.0
  H  H14  1  0.009  0.491  0.229  1.0
  H  H15  1  0.491  0.491  0.229  1.0
[/CIF]
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