The material described by Ba8Sr3Ca(WO6)4 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(6), two equivalent O(11), and two equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), one O(5), and two equivalent O(7) atoms. In the third Ba site, Ba(3) is bonded in a 12-coordinate geometry to one O(1), one O(12), one O(4), one O(5), one O(8), two equivalent O(2), two equivalent O(6), and three equivalent O(9) atoms. In the fourth Ba site, Ba(4) is bonded in a 12-coordinate geometry to one O(10), one O(3), one O(4), one O(7), one O(8), one O(9), two equivalent O(1), two equivalent O(12), and two equivalent O(5) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form SrO6 octahedra that share corners with three equivalent W(1)O6 octahedra and corners with three equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-18°. In the second Sr site, Sr(2) is bonded to two equivalent O(10), two equivalent O(3), and two equivalent O(7) atoms to form SrO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. Ca(1) is bonded to two equivalent O(1), two equivalent O(12), and two equivalent O(5) atoms to form CaO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-16°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form WO6 octahedra that share  a cornercorner with one Sr(2)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra, and corners with three equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-18°. In the second W site, W(2) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form WO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra, corners with two equivalent Sr(2)O6 octahedra, and corners with three equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-18°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(4), one Ca(1), and one W(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Sr(1), and one W(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), one Sr(2), and one W(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Sr(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(4), one Ca(1), and one W(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(3), one Sr(1), and one W(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ba(4), two equivalent Ba(2), one Sr(2), and one W(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ba(3), one Ba(4), two equivalent Ba(1), one Sr(1), and one W(2) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Ba(4), three equivalent Ba(3), one Sr(1), and one W(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), one Sr(2), and one W(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(2), two equivalent Ba(1), one Sr(1), and one W(2) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(4), one Ca(1), and one W(2) atom. is represented by the CIF card [CIF]
data_Ba8Sr3Ca(WO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.155
_cell_length_b   10.528
_cell_length_c   10.635
_cell_angle_alpha   99.001
_cell_angle_beta   106.809
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   650.851
_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  0.313  0.935  0.126  1.0
  Ba  Ba1  1  0.061  0.188  0.624  1.0
  Ba  Ba2  1  0.816  0.435  0.131  1.0
  Ba  Ba3  1  0.561  0.682  0.623  1.0
  Ba  Ba4  1  0.439  0.318  0.377  1.0
  Ba  Ba5  1  0.184  0.565  0.869  1.0
  Ba  Ba6  1  0.939  0.812  0.376  1.0
  Ba  Ba7  1  0.687  0.065  0.874  1.0
  Sr  Sr8  1  0.751  0.750  0.001  1.0
  Sr  Sr9  1  0.500  0.000  0.500  1.0
  Sr  Sr10  1  0.249  0.250  0.999  1.0
  Ca  Ca11  1  0.000  0.500  0.500  1.0
  W  W12  1  0.377  0.623  0.253  1.0
  W  W13  1  0.123  0.872  0.748  1.0
  W  W14  1  0.877  0.128  0.252  1.0
  W  W15  1  0.623  0.377  0.747  1.0
  O  O16  1  0.826  0.447  0.657  1.0
  O  O17  1  0.581  0.696  0.168  1.0
  O  O18  1  0.332  0.944  0.666  1.0
  O  O19  1  0.081  0.199  0.167  1.0
  O  O20  1  0.352  0.422  0.611  1.0
  O  O21  1  0.114  0.667  0.115  1.0
  O  O22  1  0.863  0.918  0.610  1.0
  O  O23  1  0.615  0.173  0.112  1.0
  O  O24  1  0.625  0.545  0.855  1.0
  O  O25  1  0.378  0.792  0.361  1.0
  O  O26  1  0.124  0.041  0.858  1.0
  O  O27  1  0.883  0.298  0.363  1.0
  O  O28  1  0.419  0.304  0.832  1.0
  O  O29  1  0.174  0.553  0.343  1.0
  O  O30  1  0.919  0.801  0.833  1.0
  O  O31  1  0.668  0.056  0.334  1.0
  O  O32  1  0.886  0.333  0.885  1.0
  O  O33  1  0.648  0.578  0.389  1.0
  O  O34  1  0.385  0.827  0.888  1.0
  O  O35  1  0.137  0.082  0.390  1.0
  O  O36  1  0.622  0.208  0.639  1.0
  O  O37  1  0.375  0.455  0.145  1.0
  O  O38  1  0.117  0.702  0.637  1.0
  O  O39  1  0.876  0.959  0.142  1.0
[/CIF]
.
The material described by Ba8Sr3Ca(WO6)4 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(6), two equivalent O(11), and two equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), one O(5), and two equivalent O(7) atoms. In the third Ba site, Ba(3) is bonded in a 12-coordinate geometry to one O(1), one O(12), one O(4), one O(5), one O(8), two equivalent O(2), two equivalent O(6), and three equivalent O(9) atoms. In the fourth Ba site, Ba(4) is bonded in a 12-coordinate geometry to one O(10), one O(3), one O(4), one O(7), one O(8), one O(9), two equivalent O(1), two equivalent O(12), and two equivalent O(5) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form SrO6 octahedra that share corners with three equivalent W(1)O6 octahedra and corners with three equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-18°. In the second Sr site, Sr(2) is bonded to two equivalent O(10), two equivalent O(3), and two equivalent O(7) atoms to form SrO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. Ca(1) is bonded to two equivalent O(1), two equivalent O(12), and two equivalent O(5) atoms to form CaO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-16°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form WO6 octahedra that share  a cornercorner with one Sr(2)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra, and corners with three equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-18°. In the second W site, W(2) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form WO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra, corners with two equivalent Sr(2)O6 octahedra, and corners with three equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-18°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(4), one Ca(1), and one W(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Sr(1), and one W(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), one Sr(2), and one W(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Sr(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(4), one Ca(1), and one W(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(3), one Sr(1), and one W(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ba(4), two equivalent Ba(2), one Sr(2), and one W(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ba(3), one Ba(4), two equivalent Ba(1), one Sr(1), and one W(2) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Ba(4), three equivalent Ba(3), one Sr(1), and one W(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), one Sr(2), and one W(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(2), two equivalent Ba(1), one Sr(1), and one W(2) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(4), one Ca(1), and one W(2) atom. is represented by the CIF card [CIF]
data_Ba8Sr3Ca(WO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.155
_cell_length_b   10.528
_cell_length_c   10.635
_cell_angle_alpha   99.001
_cell_angle_beta   106.809
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   650.851
_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  0.313  0.935  0.126  1.0
  Ba  Ba1  1  0.061  0.188  0.624  1.0
  Ba  Ba2  1  0.816  0.435  0.131  1.0
  Ba  Ba3  1  0.561  0.682  0.623  1.0
  Ba  Ba4  1  0.439  0.318  0.377  1.0
  Ba  Ba5  1  0.184  0.565  0.869  1.0
  Ba  Ba6  1  0.939  0.812  0.376  1.0
  Ba  Ba7  1  0.687  0.065  0.874  1.0
  Sr  Sr8  1  0.751  0.750  0.001  1.0
  Sr  Sr9  1  0.500  0.000  0.500  1.0
  Sr  Sr10  1  0.249  0.250  0.999  1.0
  Ca  Ca11  1  0.000  0.500  0.500  1.0
  W  W12  1  0.377  0.623  0.253  1.0
  W  W13  1  0.123  0.872  0.748  1.0
  W  W14  1  0.877  0.128  0.252  1.0
  W  W15  1  0.623  0.377  0.747  1.0
  O  O16  1  0.826  0.447  0.657  1.0
  O  O17  1  0.581  0.696  0.168  1.0
  O  O18  1  0.332  0.944  0.666  1.0
  O  O19  1  0.081  0.199  0.167  1.0
  O  O20  1  0.352  0.422  0.611  1.0
  O  O21  1  0.114  0.667  0.115  1.0
  O  O22  1  0.863  0.918  0.610  1.0
  O  O23  1  0.615  0.173  0.112  1.0
  O  O24  1  0.625  0.545  0.855  1.0
  O  O25  1  0.378  0.792  0.361  1.0
  O  O26  1  0.124  0.041  0.858  1.0
  O  O27  1  0.883  0.298  0.363  1.0
  O  O28  1  0.419  0.304  0.832  1.0
  O  O29  1  0.174  0.553  0.343  1.0
  O  O30  1  0.919  0.801  0.833  1.0
  O  O31  1  0.668  0.056  0.334  1.0
  O  O32  1  0.886  0.333  0.885  1.0
  O  O33  1  0.648  0.578  0.389  1.0
  O  O34  1  0.385  0.827  0.888  1.0
  O  O35  1  0.137  0.082  0.390  1.0
  O  O36  1  0.622  0.208  0.639  1.0
  O  O37  1  0.375  0.455  0.145  1.0
  O  O38  1  0.117  0.702  0.637  1.0
  O  O39  1  0.876  0.959  0.142  1.0
[/CIF]
.