data_CoCuMoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   4.24
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCuMoRu
_chemical_formula_sum   'Co1 Cu1 Mo1 Ru1'
_cell_volume   54.01
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.5  0.5  0.5  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.5  0.5  0.5  1.0

data_CoCuMoRu
_symmetry_space_group_name_H-M   Fm-3m
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   225
_chemical_formula_structural   CoCuMoRu
_chemical_formula_sum   'Co4 Cu4 Mo4 Ru4'
_cell_volume   216.06
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x, z'
  4  'y, -x, -z'
  5  '-x, -y, z'
  6  'x, y, -z'
  7  'y, -x, z'
  8  '-y, x, -z'
  9  'x, -y, -z'
  10  '-x, y, z'
  11  '-y, -x, -z'
  12  'y, x, z'
  13  '-x, y, -z'
  14  'x, -y, z'
  15  'y, x, -z'
  16  '-y, -x, z'
  17  'z, x, y'
  18  '-z, -x, -y'
  19  'z, -y, x'
  20  '-z, y, -x'
  21  'z, -x, -y'
  22  '-z, x, y'
  23  'z, y, -x'
  24  '-z, -y, x'
  25  '-z, x, -y'
  26  'z, -x, y'
  27  '-z, -y, -x'
  28  'z, y, x'
  29  '-z, -x, y'
  30  'z, x, -y'
  31  '-z, y, x'
  32  'z, -y, -x'
  33  'y, z, x'
  34  '-y, -z, -x'
  35  'x, z, -y'
  36  '-x, -z, y'
  37  '-y, z, -x'
  38  'y, -z, x'
  39  '-x, z, y'
  40  'x, -z, -y'
  41  '-y, -z, x'
  42  'y, z, -x'
  43  '-x, -z, -y'
  44  'x, z, y'
  45  'y, -z, -x'
  46  '-y, z, x'
  47  'x, -z, y'
  48  '-x, z, -y'
  49  'x+1/2, y+1/2, z'
  50  '-x+1/2, -y+1/2, -z'
  51  '-y+1/2, x+1/2, z'
  52  'y+1/2, -x+1/2, -z'
  53  '-x+1/2, -y+1/2, z'
  54  'x+1/2, y+1/2, -z'
  55  'y+1/2, -x+1/2, z'
  56  '-y+1/2, x+1/2, -z'
  57  'x+1/2, -y+1/2, -z'
  58  '-x+1/2, y+1/2, z'
  59  '-y+1/2, -x+1/2, -z'
  60  'y+1/2, x+1/2, z'
  61  '-x+1/2, y+1/2, -z'
  62  'x+1/2, -y+1/2, z'
  63  'y+1/2, x+1/2, -z'
  64  '-y+1/2, -x+1/2, z'
  65  'z+1/2, x+1/2, y'
  66  '-z+1/2, -x+1/2, -y'
  67  'z+1/2, -y+1/2, x'
  68  '-z+1/2, y+1/2, -x'
  69  'z+1/2, -x+1/2, -y'
  70  '-z+1/2, x+1/2, y'
  71  'z+1/2, y+1/2, -x'
  72  '-z+1/2, -y+1/2, x'
  73  '-z+1/2, x+1/2, -y'
  74  'z+1/2, -x+1/2, y'
  75  '-z+1/2, -y+1/2, -x'
  76  'z+1/2, y+1/2, x'
  77  '-z+1/2, -x+1/2, y'
  78  'z+1/2, x+1/2, -y'
  79  '-z+1/2, y+1/2, x'
  80  'z+1/2, -y+1/2, -x'
  81  'y+1/2, z+1/2, x'
  82  '-y+1/2, -z+1/2, -x'
  83  'x+1/2, z+1/2, -y'
  84  '-x+1/2, -z+1/2, y'
  85  '-y+1/2, z+1/2, -x'
  86  'y+1/2, -z+1/2, x'
  87  '-x+1/2, z+1/2, y'
  88  'x+1/2, -z+1/2, -y'
  89  '-y+1/2, -z+1/2, x'
  90  'y+1/2, z+1/2, -x'
  91  '-x+1/2, -z+1/2, -y'
  92  'x+1/2, z+1/2, y'
  93  'y+1/2, -z+1/2, -x'
  94  '-y+1/2, z+1/2, x'
  95  'x+1/2, -z+1/2, y'
  96  '-x+1/2, z+1/2, -y'
  97  'x+1/2, y, z+1/2'
  98  '-x+1/2, -y, -z+1/2'
  99  '-y+1/2, x, z+1/2'
  100  'y+1/2, -x, -z+1/2'
  101  '-x+1/2, -y, z+1/2'
  102  'x+1/2, y, -z+1/2'
  103  'y+1/2, -x, z+1/2'
  104  '-y+1/2, x, -z+1/2'
  105  'x+1/2, -y, -z+1/2'
  106  '-x+1/2, y, z+1/2'
  107  '-y+1/2, -x, -z+1/2'
  108  'y+1/2, x, z+1/2'
  109  '-x+1/2, y, -z+1/2'
  110  'x+1/2, -y, z+1/2'
  111  'y+1/2, x, -z+1/2'
  112  '-y+1/2, -x, z+1/2'
  113  'z+1/2, x, y+1/2'
  114  '-z+1/2, -x, -y+1/2'
  115  'z+1/2, -y, x+1/2'
  116  '-z+1/2, y, -x+1/2'
  117  'z+1/2, -x, -y+1/2'
  118  '-z+1/2, x, y+1/2'
  119  'z+1/2, y, -x+1/2'
  120  '-z+1/2, -y, x+1/2'
  121  '-z+1/2, x, -y+1/2'
  122  'z+1/2, -x, y+1/2'
  123  '-z+1/2, -y, -x+1/2'
  124  'z+1/2, y, x+1/2'
  125  '-z+1/2, -x, y+1/2'
  126  'z+1/2, x, -y+1/2'
  127  '-z+1/2, y, x+1/2'
  128  'z+1/2, -y, -x+1/2'
  129  'y+1/2, z, x+1/2'
  130  '-y+1/2, -z, -x+1/2'
  131  'x+1/2, z, -y+1/2'
  132  '-x+1/2, -z, y+1/2'
  133  '-y+1/2, z, -x+1/2'
  134  'y+1/2, -z, x+1/2'
  135  '-x+1/2, z, y+1/2'
  136  'x+1/2, -z, -y+1/2'
  137  '-y+1/2, -z, x+1/2'
  138  'y+1/2, z, -x+1/2'
  139  '-x+1/2, -z, -y+1/2'
  140  'x+1/2, z, y+1/2'
  141  'y+1/2, -z, -x+1/2'
  142  '-y+1/2, z, x+1/2'
  143  'x+1/2, -z, y+1/2'
  144  '-x+1/2, z, -y+1/2'
  145  'x, y+1/2, z+1/2'
  146  '-x, -y+1/2, -z+1/2'
  147  '-y, x+1/2, z+1/2'
  148  'y, -x+1/2, -z+1/2'
  149  '-x, -y+1/2, z+1/2'
  150  'x, y+1/2, -z+1/2'
  151  'y, -x+1/2, z+1/2'
  152  '-y, x+1/2, -z+1/2'
  153  'x, -y+1/2, -z+1/2'
  154  '-x, y+1/2, z+1/2'
  155  '-y, -x+1/2, -z+1/2'
  156  'y, x+1/2, z+1/2'
  157  '-x, y+1/2, -z+1/2'
  158  'x, -y+1/2, z+1/2'
  159  'y, x+1/2, -z+1/2'
  160  '-y, -x+1/2, z+1/2'
  161  'z, x+1/2, y+1/2'
  162  '-z, -x+1/2, -y+1/2'
  163  'z, -y+1/2, x+1/2'
  164  '-z, y+1/2, -x+1/2'
  165  'z, -x+1/2, -y+1/2'
  166  '-z, x+1/2, y+1/2'
  167  'z, y+1/2, -x+1/2'
  168  '-z, -y+1/2, x+1/2'
  169  '-z, x+1/2, -y+1/2'
  170  'z, -x+1/2, y+1/2'
  171  '-z, -y+1/2, -x+1/2'
  172  'z, y+1/2, x+1/2'
  173  '-z, -x+1/2, y+1/2'
  174  'z, x+1/2, -y+1/2'
  175  '-z, y+1/2, x+1/2'
  176  'z, -y+1/2, -x+1/2'
  177  'y, z+1/2, x+1/2'
  178  '-y, -z+1/2, -x+1/2'
  179  'x, z+1/2, -y+1/2'
  180  '-x, -z+1/2, y+1/2'
  181  '-y, z+1/2, -x+1/2'
  182  'y, -z+1/2, x+1/2'
  183  '-x, z+1/2, y+1/2'
  184  'x, -z+1/2, -y+1/2'
  185  '-y, -z+1/2, x+1/2'
  186  'y, z+1/2, -x+1/2'
  187  '-x, -z+1/2, -y+1/2'
  188  'x, z+1/2, y+1/2'
  189  'y, -z+1/2, -x+1/2'
  190  '-y, z+1/2, x+1/2'
  191  'x, -z+1/2, y+1/2'
  192  '-x, z+1/2, -y+1/2'
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
  Co  Co0  4  0.0  0.0  0.0  1.0
  Cu  Cu1  4  0.0  0.0  0.5  1.0
  Mo  Mo2  4  0.0  0.0  0.0  1.0
  Ru  Ru3  4  0.0  0.0  0.5  1.0

Co Cu Mo Ru 0 2 o o o 1 3 o o o 
MoRuCoCu is Caswellsilverite-derived structured and crystallizes in the cubic Fm-3m space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to four Ru(1,1,1) and four Cu(1,1,1) atoms to form MoCu4Ru4 octahedra that share corners with seven Mo(1,1,1)Cu4Ru4 octahedra; corners with eight Co(1,1,1,1)Cu4Ru5 octahedra; edges with five Mo(1,1,1)Cu4Ru3 octahedra; edges with eight Co(1,1,1,1)Cu4Ru5 octahedra; faces with three Co(1,1)Cu5Ru5 octahedra; and faces with four Mo(1,1)Cu4Ru6 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Mo(1)-Ru(1,1,1) bond lengths are 3.00 Å. All Mo(1)-Cu(1,1,1) bond lengths are 3.00 Å. In the second Mo site, Mo(1) is bonded to three Ru(1,1,1) and four Cu(1,1,1) atoms to form MoCu4Ru3 octahedra that share corners with seven Co(1,1,1)Cu4Ru5 octahedra; corners with eight Mo(1,1,1,1)Cu4Ru4 octahedra; edges with five Mo(1,1,1)Cu4Ru4 octahedra; edges with six Co(1,1,1,1)Cu4Ru5 octahedra;  a faceface with one Mo(1)Cu4Ru6 octahedra; and faces with four Co(1,1,1)Cu3Ru5 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Mo(1)-Ru(1,1,1) bond lengths are 3.00 Å. All Mo(1)-Cu(1,1,1) bond lengths are 3.00 Å. In the third Mo site, Mo(1) is bonded to five Ru(1,1,1) and four Cu(1,1,1) atoms to form MoCu4Ru5 octahedra that share corners with five Mo(1,1,1)Cu4Ru3 octahedra; corners with five Co(1,1)Cu4Ru5 octahedra; edges with five Co(1,1,1)Cu4Ru5 octahedra; edges with seven Mo(1,1,1,1)Cu4Ru4 octahedra; faces with four Mo(1,1)Cu4Ru4 octahedra; and faces with eight Co(1,1,1)Cu4Ru5 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Mo(1)-Ru(1,1,1) bond lengths are 3.00 Å. All Mo(1)-Cu(1,1,1) bond lengths are 3.00 Å. In the fourth Mo site, Mo(1) is bonded to six Ru(1,1,1) and four Cu(1,1,1) atoms to form MoCu4Ru6 octahedra that share corners with three equivalent Co(1)Cu3Ru5 octahedra; corners with eight Mo(1,1,1,1)Cu4Ru4 octahedra; edges with four Co(1,1)Cu3Ru5 octahedra; edges with five Mo(1,1,1,1)Cu4Ru4 octahedra; faces with five Mo(1,1,1)Cu4Ru4 octahedra; and faces with eleven Co(1,1,1,1)Cu4Ru5 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Mo(1)-Ru(1,1,1) bond lengths are 3.00 Å. All Mo(1)-Cu(1,1,1) bond lengths are 3.00 Å. There are four inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to four Mo(1,1,1) and five Co(1,1,1) atoms to form RuCo5Mo4 octahedra that share corners with three Ru(1,1)Co5Mo4 octahedra; corners with seven Cu(1,1,1)Co4Mo5 octahedra; edges with seven Cu(1,1,1,1)Co4Mo5 octahedra; edges with eight Ru(1,1,1,1)Co5Mo4 octahedra; faces with five Ru(1,1,1)Co6Mo4 octahedra; and faces with five Cu(1,1,1)Co4Mo5 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Ru(1)-Co(1,1,1) bond lengths are 3.00 Å. In the second Ru site, Ru(1) is bonded to four Mo(1,1,1) and six Co(1,1,1) atoms to form RuCo6Mo4 octahedra that share corners with four Cu(1,1)Co4Mo4 octahedra; corners with five Ru(1,1)Co6Mo4 octahedra; edges with six Ru(1,1,1)Co5Mo4 octahedra; edges with seven Cu(1,1,1,1)Co4Mo5 octahedra; faces with seven Ru(1,1,1)Co5Mo4 octahedra; and faces with seven Cu(1,1,1)Co4Mo5 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Ru(1)-Co(1,1,1) bond lengths are 3.00 Å. In the third Ru site, Ru(1) is bonded to six Mo(1,1,1) and five Co(1,1,1) atoms to form RuCo5Mo6 octahedra that share corners with three Ru(1,1)Co5Mo6 octahedra; corners with four equivalent Cu(1)Co3Mo4 octahedra; edges with five Cu(1,1,1)Co4Mo4 octahedra; edges with seven Ru(1,1,1)Co5Mo4 octahedra; faces with eight Ru(1,1,1)Co5Mo4 octahedra; and faces with nine Cu(1,1,1,1)Co4Mo5 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Ru(1)-Co(1,1,1) bond lengths are 3.00 Å. In the fourth Ru site, Ru(1) is bonded to four Mo(1,1,1) and five Co(1,1,1) atoms to form RuCo5Mo4 octahedra that share corners with five Cu(1,1,1)Co4Mo5 octahedra; corners with seven Ru(1,1)Co5Mo6 octahedra; edges with five Ru(1,1,1)Co5Mo4 octahedra; edges with ten Cu(1,1,1,1)Co4Mo5 octahedra; faces with three Cu(1,1,1)Co4Mo4 octahedra; and faces with six Ru(1,1,1)Co5Mo4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Ru(1)-Co(1,1,1) bond lengths are 3.00 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to five Ru(1,1,1) and four Cu(1,1) atoms to form CoCu4Ru5 octahedra that share corners with seven Co(1,1,1)Cu4Ru5 octahedra; corners with eight Mo(1,1,1)Cu4Ru4 octahedra; edges with three Co(1,1)Cu4Ru5 octahedra; edges with five Mo(1,1,1)Cu4Ru4 octahedra; faces with five Mo(1,1)Cu4Ru5 octahedra; and faces with seven Co(1,1,1)Cu3Ru5 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Co(1)-Cu(1,1) bond lengths are 3.00 Å. In the second Co site, Co(1) is bonded to five Ru(1,1,1) and three Cu(1,1) atoms to form CoCu3Ru5 octahedra that share corners with five Mo(1,1,1)Cu4Ru4 octahedra; corners with eight Co(1,1)Cu4Ru5 octahedra; edges with three Co(1,1)Cu5Ru5 octahedra; edges with ten Mo(1,1,1,1)Cu4Ru4 octahedra; faces with two Mo(1,1)Cu4Ru3 octahedra; and faces with seven Co(1,1,1)Cu4Ru5 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Co(1)-Cu(1,1) bond lengths are 3.00 Å. In the third Co site, Co(1) is bonded to five Ru(1,1,1) and five Cu(1,1,1) atoms to form CoCu5Ru5 octahedra that share corners with five Mo(1,1)Cu4Ru4 octahedra; corners with five Co(1,1)Cu5Ru5 octahedra; edges with four Mo(1,1,1)Cu4Ru4 octahedra; edges with five Co(1,1,1)Cu4Ru5 octahedra; faces with seven Co(1,1,1)Cu4Ru5 octahedra; and faces with ten Mo(1,1,1,1)Cu4Ru4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Co(1)-Cu(1,1,1) bond lengths are 3.00 Å. In the fourth Co site, Co(1) is bonded to six Ru(1,1,1) and five Cu(1,1,1) atoms to form CoCu5Ru6 octahedra that share corners with two equivalent Co(1)Cu5Ru6 octahedra; corners with five Mo(1,1)Cu4Ru4 octahedra; edges with four Mo(1,1,1)Cu4Ru4 octahedra; edges with five Co(1,1)Cu3Ru5 octahedra; faces with nine Mo(1,1,1,1)Cu4Ru4 octahedra; and faces with eleven Co(1,1,1)Cu4Ru5 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Co(1)-Cu(1,1,1) bond lengths are 3.00 Å. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to five Mo(1,1,1) and four Co(1,1) atoms to form CuCo4Mo5 octahedra that share corners with six Ru(1,1)Co5Mo4 octahedra; corners with nine Cu(1,1,1,1)Co4Mo5 octahedra; edges with five Ru(1,1,1)Co5Mo4 octahedra; edges with six Cu(1,1,1,1)Co4Mo5 octahedra; faces with three Cu(1,1)Co4Mo4 octahedra; and faces with eight Ru(1,1,1)Co5Mo4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. In the second Cu site, Cu(1) is bonded to four Mo(1,1,1) and four Co(1,1,1) atoms to form CuCo4Mo4 octahedra that share corners with six Ru(1,1,1)Co5Mo4 octahedra; corners with eight Cu(1,1,1)Co4Mo5 octahedra; edges with four Cu(1,1,1)Co4Mo5 octahedra; edges with eight Ru(1,1,1,1)Co5Mo4 octahedra; faces with three Cu(1,1)Co4Mo5 octahedra; and faces with four Ru(1,1,1)Co6Mo4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. In the third Cu site, Cu(1) is bonded to four Mo(1,1,1) and three Co(1,1) atoms to form CuCo3Mo4 octahedra that share corners with six Ru(1,1,1)Co5Mo4 octahedra; corners with eleven Cu(1,1,1,1)Co4Mo5 octahedra; edges with four Cu(1,1,1)Co4Mo5 octahedra; edges with nine Ru(1,1,1,1)Co5Mo4 octahedra;  a faceface with one Cu(1)Co6Mo3 octahedra; and faces with three Ru(1,1,1)Co5Mo4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. In the fourth Cu site, Cu(1) is bonded to three Mo(1,1,1) and six Co(1,1,1) atoms to form CuCo6Mo3 octahedra that share corners with two equivalent Ru(1)Co5Mo4 octahedra; corners with ten Cu(1,1,1)Co6Mo3 octahedra; edges with four Cu(1,1,1)Co4Mo5 octahedra; edges with seven Ru(1,1,1,1)Co5Mo4 octahedra; faces with three Cu(1,1,1)Co4Mo5 octahedra; and faces with nine Ru(1,1,1,1)Co5Mo4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°.