The material described by Ba6Co5Zn(SiO4)6 crystallizes in the triclinic P1 space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(15), one O(17), and one O(8) atom. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(16), one O(18), one O(7), and one O(9) atom. In the third Ba site, Ba(3) is bonded in a distorted q6 geometry to one O(11), one O(14), one O(16), one O(18), one O(20), one O(22), one O(24), one O(7), and one O(9) atom. In the fourth Ba site, Ba(4) is bonded in a distorted q6 geometry to one O(10), one O(12), one O(13), one O(15), one O(17), one O(19), one O(21), one O(23), and one O(8) atom. In the fifth Ba site, Ba(5) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(20), one O(22), one O(24), one O(3), one O(4), one O(5), and one O(6) atom. In the sixth Ba site, Ba(6) is bonded in a 9-coordinate geometry to one O(1), one O(19), one O(2), one O(21), one O(23), one O(3), one O(4), one O(5), and one O(6) atom. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(16), one O(2), and one O(20) atom to form CoO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(17), one O(21), one O(3), and one O(7) atom to form CoO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(18), one O(22), one O(4), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(13), one O(23), one O(5), and one O(9) atom to form CoO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the fifth Co site, Co(5) is bonded to one O(10), one O(14), one O(24), and one O(6) atom to form CoO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. Zn(1) is bonded to one O(1), one O(11), one O(15), and one O(19) atom to form ZnO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(13), one O(24), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra, and  a cornercorner with one Zn(1)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(14), one O(19), one O(2), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra, and  a cornercorner with one Zn(1)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(15), one O(20), one O(3), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra, and  a cornercorner with one Zn(1)O4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(10), one O(16), one O(21), and one O(4) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra, and  a cornercorner with one Co(5)O4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(11), one O(17), one O(22), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra, and  a cornercorner with one Zn(1)O4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(12), one O(18), one O(23), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra, and  a cornercorner with one Co(5)O4 tetrahedra. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(5), one Ba(6), one Zn(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(5), one Ba(6), one Co(1), and one Si(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(5), one Ba(6), one Co(2), and one Si(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(5), one Ba(6), one Co(3), and one Si(4) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ba(5), one Ba(6), one Co(4), and one Si(5) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ba(5), one Ba(6), one Co(5), and one Si(6) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Co(2), and one Si(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Co(3), and one Si(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Co(4), and one Si(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Co(5), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Zn(1), and one Si(5) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Co(1), and one Si(6) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Co(4), and one Si(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Co(5), and one Si(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Zn(1), and one Si(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Co(1), and one Si(4) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Co(2), and one Si(5) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Co(3), and one Si(6) atom. In the nineteenth O site, O(19) is bonded in a 2-coordinate geometry to one Ba(4), one Ba(6), one Zn(1), and one Si(2) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(5), one Co(1), and one Si(3) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Ba(4), one Ba(6), one Co(2), and one Si(4) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(5), one Co(3), and one Si(5) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Ba(4), one Ba(6), one Co(4), and one Si(6) atom. In the twenty-fourth O site, O(24) is bonded in a 2-coordinate geometry to one Ba(3), one Ba(5), one Co(5), and one Si(1) atom. is represented by the CIF card [CIF]
data_Ba6ZnCo5(SiO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.838
_cell_length_b   9.227
_cell_length_c   9.231
_cell_angle_alpha   119.949
_cell_angle_beta   90.020
_cell_angle_gamma   90.017
_symmetry_Int_Tables_number   1
_cell_volume   652.260
_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
  Ba  Ba0  1  0.778  0.667  0.333  1.0
  Ba  Ba1  1  0.278  0.333  0.666  1.0
  Ba  Ba2  1  0.770  0.333  0.667  1.0
  Ba  Ba3  1  0.270  0.666  0.333  1.0
  Ba  Ba4  1  0.750  1.000  1.000  1.0
  Ba  Ba5  1  0.250  0.001  0.000  1.0
  Zn  Zn6  1  0.466  0.330  0.319  1.0
  Co  Co7  1  0.964  0.318  0.989  1.0
  Co  Co8  1  0.464  0.988  0.670  1.0
  Co  Co9  1  0.964  0.670  0.682  1.0
  Co  Co10  1  0.464  0.682  0.011  1.0
  Co  Co11  1  0.964  0.012  0.330  1.0
  Si  Si12  1  0.568  0.011  0.340  1.0
  Si  Si13  1  0.067  0.340  0.329  1.0
  Si  Si14  1  0.567  0.329  0.989  1.0
  Si  Si15  1  0.067  0.989  0.660  1.0
  Si  Si16  1  0.567  0.660  0.671  1.0
  Si  Si17  1  0.068  0.671  0.011  1.0
  O  O18  1  0.477  0.088  0.236  1.0
  O  O19  1  0.975  0.237  0.150  1.0
  O  O20  1  0.476  0.149  0.912  1.0
  O  O21  1  0.976  0.912  0.763  1.0
  O  O22  1  0.476  0.763  0.850  1.0
  O  O23  1  0.976  0.850  0.088  1.0
  O  O24  1  0.510  0.096  0.536  1.0
  O  O25  1  0.010  0.536  0.440  1.0
  O  O26  1  0.510  0.440  0.904  1.0
  O  O27  1  0.010  0.904  0.464  1.0
  O  O28  1  0.509  0.464  0.561  1.0
  O  O29  1  0.011  0.560  0.096  1.0
  O  O30  1  0.549  0.806  0.240  1.0
  O  O31  1  0.050  0.240  0.435  1.0
  O  O32  1  0.549  0.434  0.194  1.0
  O  O33  1  0.050  0.195  0.760  1.0
  O  O34  1  0.550  0.760  0.565  1.0
  O  O35  1  0.050  0.566  0.806  1.0
  O  O36  1  0.246  0.346  0.281  1.0
  O  O37  1  0.746  0.280  0.935  1.0
  O  O38  1  0.246  0.935  0.655  1.0
  O  O39  1  0.746  0.654  0.719  1.0
  O  O40  1  0.247  0.720  0.065  1.0
  O  O41  1  0.747  0.065  0.345  1.0
[/CIF]
.
The material described by Ba6Co5Zn(SiO4)6 crystallizes in the triclinic P1 space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(15), one O(17), and one O(8) atom. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(16), one O(18), one O(7), and one O(9) atom. In the third Ba site, Ba(3) is bonded in a distorted q6 geometry to one O(11), one O(14), one O(16), one O(18), one O(20), one O(22), one O(24), one O(7), and one O(9) atom. In the fourth Ba site, Ba(4) is bonded in a distorted q6 geometry to one O(10), one O(12), one O(13), one O(15), one O(17), one O(19), one O(21), one O(23), and one O(8) atom. In the fifth Ba site, Ba(5) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(20), one O(22), one O(24), one O(3), one O(4), one O(5), and one O(6) atom. In the sixth Ba site, Ba(6) is bonded in a 9-coordinate geometry to one O(1), one O(19), one O(2), one O(21), one O(23), one O(3), one O(4), one O(5), and one O(6) atom. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(16), one O(2), and one O(20) atom to form CoO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(17), one O(21), one O(3), and one O(7) atom to form CoO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(18), one O(22), one O(4), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(13), one O(23), one O(5), and one O(9) atom to form CoO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the fifth Co site, Co(5) is bonded to one O(10), one O(14), one O(24), and one O(6) atom to form CoO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. Zn(1) is bonded to one O(1), one O(11), one O(15), and one O(19) atom to form ZnO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(13), one O(24), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra, and  a cornercorner with one Zn(1)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(14), one O(19), one O(2), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra, and  a cornercorner with one Zn(1)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(15), one O(20), one O(3), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra, and  a cornercorner with one Zn(1)O4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(10), one O(16), one O(21), and one O(4) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra, and  a cornercorner with one Co(5)O4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(11), one O(17), one O(22), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra, and  a cornercorner with one Zn(1)O4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(12), one O(18), one O(23), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra, and  a cornercorner with one Co(5)O4 tetrahedra. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(5), one Ba(6), one Zn(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(5), one Ba(6), one Co(1), and one Si(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(5), one Ba(6), one Co(2), and one Si(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(5), one Ba(6), one Co(3), and one Si(4) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ba(5), one Ba(6), one Co(4), and one Si(5) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ba(5), one Ba(6), one Co(5), and one Si(6) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Co(2), and one Si(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Co(3), and one Si(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Co(4), and one Si(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Co(5), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Zn(1), and one Si(5) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Co(1), and one Si(6) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Co(4), and one Si(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Co(5), and one Si(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Zn(1), and one Si(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Co(1), and one Si(4) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Co(2), and one Si(5) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Co(3), and one Si(6) atom. In the nineteenth O site, O(19) is bonded in a 2-coordinate geometry to one Ba(4), one Ba(6), one Zn(1), and one Si(2) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(5), one Co(1), and one Si(3) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Ba(4), one Ba(6), one Co(2), and one Si(4) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(5), one Co(3), and one Si(5) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Ba(4), one Ba(6), one Co(4), and one Si(6) atom. In the twenty-fourth O site, O(24) is bonded in a 2-coordinate geometry to one Ba(3), one Ba(5), one Co(5), and one Si(1) atom. is represented by the CIF card [CIF]
data_Ba6ZnCo5(SiO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.838
_cell_length_b   9.227
_cell_length_c   9.231
_cell_angle_alpha   119.949
_cell_angle_beta   90.020
_cell_angle_gamma   90.017
_symmetry_Int_Tables_number   1
_cell_volume   652.260
_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
  Ba  Ba0  1  0.778  0.667  0.333  1.0
  Ba  Ba1  1  0.278  0.333  0.666  1.0
  Ba  Ba2  1  0.770  0.333  0.667  1.0
  Ba  Ba3  1  0.270  0.666  0.333  1.0
  Ba  Ba4  1  0.750  1.000  1.000  1.0
  Ba  Ba5  1  0.250  0.001  0.000  1.0
  Zn  Zn6  1  0.466  0.330  0.319  1.0
  Co  Co7  1  0.964  0.318  0.989  1.0
  Co  Co8  1  0.464  0.988  0.670  1.0
  Co  Co9  1  0.964  0.670  0.682  1.0
  Co  Co10  1  0.464  0.682  0.011  1.0
  Co  Co11  1  0.964  0.012  0.330  1.0
  Si  Si12  1  0.568  0.011  0.340  1.0
  Si  Si13  1  0.067  0.340  0.329  1.0
  Si  Si14  1  0.567  0.329  0.989  1.0
  Si  Si15  1  0.067  0.989  0.660  1.0
  Si  Si16  1  0.567  0.660  0.671  1.0
  Si  Si17  1  0.068  0.671  0.011  1.0
  O  O18  1  0.477  0.088  0.236  1.0
  O  O19  1  0.975  0.237  0.150  1.0
  O  O20  1  0.476  0.149  0.912  1.0
  O  O21  1  0.976  0.912  0.763  1.0
  O  O22  1  0.476  0.763  0.850  1.0
  O  O23  1  0.976  0.850  0.088  1.0
  O  O24  1  0.510  0.096  0.536  1.0
  O  O25  1  0.010  0.536  0.440  1.0
  O  O26  1  0.510  0.440  0.904  1.0
  O  O27  1  0.010  0.904  0.464  1.0
  O  O28  1  0.509  0.464  0.561  1.0
  O  O29  1  0.011  0.560  0.096  1.0
  O  O30  1  0.549  0.806  0.240  1.0
  O  O31  1  0.050  0.240  0.435  1.0
  O  O32  1  0.549  0.434  0.194  1.0
  O  O33  1  0.050  0.195  0.760  1.0
  O  O34  1  0.550  0.760  0.565  1.0
  O  O35  1  0.050  0.566  0.806  1.0
  O  O36  1  0.246  0.346  0.281  1.0
  O  O37  1  0.746  0.280  0.935  1.0
  O  O38  1  0.246  0.935  0.655  1.0
  O  O39  1  0.746  0.654  0.719  1.0
  O  O40  1  0.247  0.720  0.065  1.0
  O  O41  1  0.747  0.065  0.345  1.0
[/CIF]
.