The material structure described by ZrVCo crystallizes in the orthorhombic Amm2 space group. There are six inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1); three Zr(2,2); two equivalent V(1); three equivalent V(2); one Co(3); two equivalent Co(1); and four equivalent Co(2) atoms. In the second Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2); three Zr(1,1); three equivalent V(2); four equivalent V(1); one Co(1); two equivalent Co(2); and two equivalent Co(3) atoms. In the third Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2), three equivalent Zr(1), three equivalent V(2), four equivalent V(1), one Co(1), two equivalent Co(2), and two equivalent Co(3) atoms. In the fourth Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1); three Zr(2,2); two equivalent V(1); three equivalent V(2); one Co(3); two equivalent Co(1); and four equivalent Co(2) atoms. In the fifth Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1); three Zr(2,2); two equivalent V(1); three equivalent V(2); one Co(3); two equivalent Co(1); and four equivalent Co(2) atoms. In the sixth Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2); three Zr(1,1); three equivalent V(2); four equivalent V(1); one Co(1); two equivalent Co(2); and two equivalent Co(3) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two Zr(1,1); four Zr(2,2,2); two equivalent V(1); two equivalent V(2); and two equivalent Co(3) atoms to form distorted VZr6V4Co2 cuboctahedra that share corners with four equivalent V(2)Zr6V2Co4 cuboctahedra, corners with four equivalent V(1)Zr6V4Co2 cuboctahedra, corners with four equivalent Co(1)Zr6V2Co4 cuboctahedra, corners with six equivalent Co(2)Zr6V2Co4 cuboctahedra, edges with two equivalent V(1)Zr6V4Co2 cuboctahedra, edges with four equivalent Co(2)Zr6V2Co4 cuboctahedra, faces with two equivalent Co(1)Zr6V2Co4 cuboctahedra, faces with two equivalent Co(2)Zr6V2Co4 cuboctahedra, faces with four equivalent V(1)Zr6V4Co2 cuboctahedra, faces with four equivalent Co(3)Zr6V6 cuboctahedra, and faces with six equivalent V(2)Zr6V2Co4 cuboctahedra. In the second V site, V(2) is bonded to three Zr(1,1); three Zr(2,2); two equivalent V(1); one Co(1); one Co(3); and two equivalent Co(2) atoms to form distorted VZr6V2Co4 cuboctahedra that share corners with two equivalent Co(1)Zr6V2Co4 cuboctahedra, corners with two equivalent Co(3)Zr6V6 cuboctahedra, corners with four equivalent V(1)Zr6V4Co2 cuboctahedra, corners with four equivalent Co(2)Zr6V2Co4 cuboctahedra, edges with six equivalent V(2)Zr6V2Co4 cuboctahedra, faces with two equivalent V(2)Zr6V2Co4 cuboctahedra, faces with three equivalent Co(1)Zr6V2Co4 cuboctahedra, faces with three equivalent Co(3)Zr6V6 cuboctahedra, faces with six equivalent V(1)Zr6V4Co2 cuboctahedra, and faces with six equivalent Co(2)Zr6V2Co4 cuboctahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two Zr(2,2); four Zr(1,1); two equivalent V(2); and four equivalent Co(2) atoms to form distorted CoZr6V2Co4 cuboctahedra that share corners with two equivalent Co(3)Zr6V6 cuboctahedra, corners with four equivalent V(2)Zr6V2Co4 cuboctahedra, corners with four equivalent Co(1)Zr6V2Co4 cuboctahedra, corners with eight equivalent V(1)Zr6V4Co2 cuboctahedra, edges with two equivalent Co(1)Zr6V2Co4 cuboctahedra, edges with four equivalent Co(3)Zr6V6 cuboctahedra, faces with four equivalent V(1)Zr6V4Co2 cuboctahedra, faces with six equivalent V(2)Zr6V2Co4 cuboctahedra, and faces with eight equivalent Co(2)Zr6V2Co4 cuboctahedra. In the second Co site, Co(2) is bonded to two Zr(2,2); four Zr(1,1,1); two equivalent V(2); two equivalent Co(1); and two equivalent Co(2) atoms to form distorted CoZr6V2Co4 cuboctahedra that share corners with four equivalent V(2)Zr6V2Co4 cuboctahedra, corners with four equivalent Co(2)Zr6V2Co4 cuboctahedra, corners with four equivalent Co(3)Zr6V6 cuboctahedra, corners with six equivalent V(1)Zr6V4Co2 cuboctahedra, edges with two equivalent Co(2)Zr6V2Co4 cuboctahedra, edges with four equivalent V(1)Zr6V4Co2 cuboctahedra, faces with two equivalent V(1)Zr6V4Co2 cuboctahedra, faces with two equivalent Co(3)Zr6V6 cuboctahedra, faces with four equivalent Co(1)Zr6V2Co4 cuboctahedra, faces with four equivalent Co(2)Zr6V2Co4 cuboctahedra, and faces with six equivalent V(2)Zr6V2Co4 cuboctahedra. In the third Co site, Co(3) is bonded to two Zr(1,1); four equivalent Zr(2); two equivalent V(2); and four equivalent V(1) atoms to form CoZr6V6 cuboctahedra that share corners with two equivalent Co(1)Zr6V2Co4 cuboctahedra, corners with four equivalent V(2)Zr6V2Co4 cuboctahedra, corners with four equivalent Co(3)Zr6V6 cuboctahedra, corners with eight equivalent Co(2)Zr6V2Co4 cuboctahedra, edges with two equivalent Co(3)Zr6V6 cuboctahedra, edges with four equivalent Co(1)Zr6V2Co4 cuboctahedra, faces with four equivalent Co(2)Zr6V2Co4 cuboctahedra, faces with six equivalent V(2)Zr6V2Co4 cuboctahedra, and faces with eight equivalent V(1)Zr6V4Co2 cuboctahedra. is represented by the CIF card [CIF]
data_ZrVCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.110
_cell_length_b   5.108
_cell_length_c   8.059
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.986
_symmetry_Int_Tables_number   1
_cell_volume   182.160
_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
  Zr  Zr0  1  0.336  0.328  0.572  1.0
  Zr  Zr1  1  0.667  0.666  0.447  1.0
  Zr  Zr2  1  0.667  0.666  0.053  1.0
  Zr  Zr3  1  0.336  0.328  0.928  1.0
  V  V4  1  0.659  0.178  0.250  1.0
  V  V5  1  0.163  0.178  0.250  1.0
  V  V6  1  0.003  0.993  0.512  1.0
  V  V7  1  0.003  0.993  0.988  1.0
  Co  Co8  1  0.828  0.344  0.750  1.0
  Co  Co9  1  0.339  0.829  0.750  1.0
  Co  Co10  1  0.832  0.829  0.750  1.0
  Co  Co11  1  0.166  0.667  0.250  1.0
[/CIF]
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The material structure described by ZrVCo crystallizes in the orthorhombic Amm2 space group. There are six inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1); three Zr(2,2); two equivalent V(1); three equivalent V(2); one Co(3); two equivalent Co(1); and four equivalent Co(2) atoms. In the second Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2); three Zr(1,1); three equivalent V(2); four equivalent V(1); one Co(1); two equivalent Co(2); and two equivalent Co(3) atoms. In the third Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2), three equivalent Zr(1), three equivalent V(2), four equivalent V(1), one Co(1), two equivalent Co(2), and two equivalent Co(3) atoms. In the fourth Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1); three Zr(2,2); two equivalent V(1); three equivalent V(2); one Co(3); two equivalent Co(1); and four equivalent Co(2) atoms. In the fifth Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1); three Zr(2,2); two equivalent V(1); three equivalent V(2); one Co(3); two equivalent Co(1); and four equivalent Co(2) atoms. In the sixth Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2); three Zr(1,1); three equivalent V(2); four equivalent V(1); one Co(1); two equivalent Co(2); and two equivalent Co(3) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two Zr(1,1); four Zr(2,2,2); two equivalent V(1); two equivalent V(2); and two equivalent Co(3) atoms to form distorted VZr6V4Co2 cuboctahedra that share corners with four equivalent V(2)Zr6V2Co4 cuboctahedra, corners with four equivalent V(1)Zr6V4Co2 cuboctahedra, corners with four equivalent Co(1)Zr6V2Co4 cuboctahedra, corners with six equivalent Co(2)Zr6V2Co4 cuboctahedra, edges with two equivalent V(1)Zr6V4Co2 cuboctahedra, edges with four equivalent Co(2)Zr6V2Co4 cuboctahedra, faces with two equivalent Co(1)Zr6V2Co4 cuboctahedra, faces with two equivalent Co(2)Zr6V2Co4 cuboctahedra, faces with four equivalent V(1)Zr6V4Co2 cuboctahedra, faces with four equivalent Co(3)Zr6V6 cuboctahedra, and faces with six equivalent V(2)Zr6V2Co4 cuboctahedra. In the second V site, V(2) is bonded to three Zr(1,1); three Zr(2,2); two equivalent V(1); one Co(1); one Co(3); and two equivalent Co(2) atoms to form distorted VZr6V2Co4 cuboctahedra that share corners with two equivalent Co(1)Zr6V2Co4 cuboctahedra, corners with two equivalent Co(3)Zr6V6 cuboctahedra, corners with four equivalent V(1)Zr6V4Co2 cuboctahedra, corners with four equivalent Co(2)Zr6V2Co4 cuboctahedra, edges with six equivalent V(2)Zr6V2Co4 cuboctahedra, faces with two equivalent V(2)Zr6V2Co4 cuboctahedra, faces with three equivalent Co(1)Zr6V2Co4 cuboctahedra, faces with three equivalent Co(3)Zr6V6 cuboctahedra, faces with six equivalent V(1)Zr6V4Co2 cuboctahedra, and faces with six equivalent Co(2)Zr6V2Co4 cuboctahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two Zr(2,2); four Zr(1,1); two equivalent V(2); and four equivalent Co(2) atoms to form distorted CoZr6V2Co4 cuboctahedra that share corners with two equivalent Co(3)Zr6V6 cuboctahedra, corners with four equivalent V(2)Zr6V2Co4 cuboctahedra, corners with four equivalent Co(1)Zr6V2Co4 cuboctahedra, corners with eight equivalent V(1)Zr6V4Co2 cuboctahedra, edges with two equivalent Co(1)Zr6V2Co4 cuboctahedra, edges with four equivalent Co(3)Zr6V6 cuboctahedra, faces with four equivalent V(1)Zr6V4Co2 cuboctahedra, faces with six equivalent V(2)Zr6V2Co4 cuboctahedra, and faces with eight equivalent Co(2)Zr6V2Co4 cuboctahedra. In the second Co site, Co(2) is bonded to two Zr(2,2); four Zr(1,1,1); two equivalent V(2); two equivalent Co(1); and two equivalent Co(2) atoms to form distorted CoZr6V2Co4 cuboctahedra that share corners with four equivalent V(2)Zr6V2Co4 cuboctahedra, corners with four equivalent Co(2)Zr6V2Co4 cuboctahedra, corners with four equivalent Co(3)Zr6V6 cuboctahedra, corners with six equivalent V(1)Zr6V4Co2 cuboctahedra, edges with two equivalent Co(2)Zr6V2Co4 cuboctahedra, edges with four equivalent V(1)Zr6V4Co2 cuboctahedra, faces with two equivalent V(1)Zr6V4Co2 cuboctahedra, faces with two equivalent Co(3)Zr6V6 cuboctahedra, faces with four equivalent Co(1)Zr6V2Co4 cuboctahedra, faces with four equivalent Co(2)Zr6V2Co4 cuboctahedra, and faces with six equivalent V(2)Zr6V2Co4 cuboctahedra. In the third Co site, Co(3) is bonded to two Zr(1,1); four equivalent Zr(2); two equivalent V(2); and four equivalent V(1) atoms to form CoZr6V6 cuboctahedra that share corners with two equivalent Co(1)Zr6V2Co4 cuboctahedra, corners with four equivalent V(2)Zr6V2Co4 cuboctahedra, corners with four equivalent Co(3)Zr6V6 cuboctahedra, corners with eight equivalent Co(2)Zr6V2Co4 cuboctahedra, edges with two equivalent Co(3)Zr6V6 cuboctahedra, edges with four equivalent Co(1)Zr6V2Co4 cuboctahedra, faces with four equivalent Co(2)Zr6V2Co4 cuboctahedra, faces with six equivalent V(2)Zr6V2Co4 cuboctahedra, and faces with eight equivalent V(1)Zr6V4Co2 cuboctahedra. is represented by the CIF card [CIF]
data_ZrVCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.110
_cell_length_b   5.108
_cell_length_c   8.059
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.986
_symmetry_Int_Tables_number   1
_cell_volume   182.160
_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
  Zr  Zr0  1  0.336  0.328  0.572  1.0
  Zr  Zr1  1  0.667  0.666  0.447  1.0
  Zr  Zr2  1  0.667  0.666  0.053  1.0
  Zr  Zr3  1  0.336  0.328  0.928  1.0
  V  V4  1  0.659  0.178  0.250  1.0
  V  V5  1  0.163  0.178  0.250  1.0
  V  V6  1  0.003  0.993  0.512  1.0
  V  V7  1  0.003  0.993  0.988  1.0
  Co  Co8  1  0.828  0.344  0.750  1.0
  Co  Co9  1  0.339  0.829  0.750  1.0
  Co  Co10  1  0.832  0.829  0.750  1.0
  Co  Co11  1  0.166  0.667  0.250  1.0
[/CIF]
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