The material described by CaGa4(WO6)2 crystallizes in the tetragonal P-4 space group. Ca(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with four equivalent Ga(1)O6 octahedra, corners with four equivalent Ga(2)O6 octahedra,  an edgeedge with one Ga(1)O6 octahedra, and  an edgeedge with one Ga(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form distorted GaO6 octahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent Ga(1)O6 octahedra,  an edgeedge with one W(1)O6 octahedra, and  an edgeedge with one Ga(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. In the second Ga site, Ga(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form GaO6 octahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent Ga(2)O6 octahedra,  an edgeedge with one W(1)O6 octahedra, and  an edgeedge with one Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one W(1), and two equivalent Ga(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one W(1) and two equivalent Ga(2) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one W(1), one Ga(1), and one Ga(2) atom. is represented by the CIF card [CIF]
data_CaGa4(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.845
_cell_length_b   4.845
_cell_length_c   9.205
_cell_angle_alpha   90.001
_cell_angle_beta   90.001
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   216.069
_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
  Ca  Ca0  1  0.500  0.000  0.250  1.0
  Ga  Ga1  1  0.000  1.000  0.353  1.0
  Ga  Ga2  1  0.000  0.000  0.669  1.0
  Ga  Ga3  1  0.500  0.500  0.147  1.0
  Ga  Ga4  1  0.500  0.500  0.830  1.0
  W  W5  1  0.000  0.000  0.992  1.0
  W  W6  1  0.500  0.500  0.508  1.0
  O  O7  1  0.165  0.215  0.162  1.0
  O  O8  1  0.188  0.198  0.832  1.0
  O  O9  1  0.223  0.182  0.497  1.0
  O  O10  1  0.319  0.723  0.003  1.0
  O  O11  1  0.285  0.665  0.338  1.0
  O  O12  1  0.302  0.688  0.668  1.0
  O  O13  1  0.715  0.335  0.338  1.0
  O  O14  1  0.698  0.312  0.668  1.0
  O  O15  1  0.682  0.277  0.003  1.0
  O  O16  1  0.777  0.819  0.497  1.0
  O  O17  1  0.835  0.785  0.162  1.0
  O  O18  1  0.812  0.802  0.832  1.0
[/CIF]
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The material described by CaGa4(WO6)2 crystallizes in the tetragonal P-4 space group. Ca(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with four equivalent Ga(1)O6 octahedra, corners with four equivalent Ga(2)O6 octahedra,  an edgeedge with one Ga(1)O6 octahedra, and  an edgeedge with one Ga(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form distorted GaO6 octahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent Ga(1)O6 octahedra,  an edgeedge with one W(1)O6 octahedra, and  an edgeedge with one Ga(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. In the second Ga site, Ga(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form GaO6 octahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent Ga(2)O6 octahedra,  an edgeedge with one W(1)O6 octahedra, and  an edgeedge with one Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one W(1), and two equivalent Ga(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one W(1) and two equivalent Ga(2) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one W(1), one Ga(1), and one Ga(2) atom. is represented by the CIF card [CIF]
data_CaGa4(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.845
_cell_length_b   4.845
_cell_length_c   9.205
_cell_angle_alpha   90.001
_cell_angle_beta   90.001
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   216.069
_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
  Ca  Ca0  1  0.500  0.000  0.250  1.0
  Ga  Ga1  1  0.000  1.000  0.353  1.0
  Ga  Ga2  1  0.000  0.000  0.669  1.0
  Ga  Ga3  1  0.500  0.500  0.147  1.0
  Ga  Ga4  1  0.500  0.500  0.830  1.0
  W  W5  1  0.000  0.000  0.992  1.0
  W  W6  1  0.500  0.500  0.508  1.0
  O  O7  1  0.165  0.215  0.162  1.0
  O  O8  1  0.188  0.198  0.832  1.0
  O  O9  1  0.223  0.182  0.497  1.0
  O  O10  1  0.319  0.723  0.003  1.0
  O  O11  1  0.285  0.665  0.338  1.0
  O  O12  1  0.302  0.688  0.668  1.0
  O  O13  1  0.715  0.335  0.338  1.0
  O  O14  1  0.698  0.312  0.668  1.0
  O  O15  1  0.682  0.277  0.003  1.0
  O  O16  1  0.777  0.819  0.497  1.0
  O  O17  1  0.835  0.785  0.162  1.0
  O  O18  1  0.812  0.802  0.832  1.0
[/CIF]
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