The compound described by RbZr2(AsO4)3 crystallizes in the trigonal R-3c space group. Rb(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(2) atoms. Zr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ZrO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra. As(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AsO4 tetrahedra that share corners with four equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-36°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Zr(1) and one As(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Zr(1), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbZr2(AsO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.041
_cell_length_b   10.041
_cell_length_c   10.041
_cell_angle_alpha   54.240
_cell_angle_beta   54.240
_cell_angle_gamma   54.240
_symmetry_Int_Tables_number   1
_cell_volume   619.556
_cell_formula_units_Z   2
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
  Rb  Rb0  1  0.500  0.500  0.500  1.0
  Rb  Rb1  1  0.000  0.000  0.000  1.0
  Zr  Zr2  1  0.350  0.350  0.350  1.0
  Zr  Zr3  1  0.850  0.850  0.850  1.0
  Zr  Zr4  1  0.650  0.650  0.650  1.0
  Zr  Zr5  1  0.150  0.150  0.150  1.0
  As  As6  1  0.969  0.531  0.250  1.0
  As  As7  1  0.250  0.969  0.531  1.0
  As  As8  1  0.531  0.250  0.969  1.0
  As  As9  1  0.750  0.031  0.469  1.0
  As  As10  1  0.469  0.750  0.031  1.0
  As  As11  1  0.031  0.469  0.750  1.0
  O  O12  1  0.154  0.514  0.239  1.0
  O  O13  1  0.239  0.154  0.514  1.0
  O  O14  1  0.514  0.239  0.154  1.0
  O  O15  1  0.739  0.014  0.654  1.0
  O  O16  1  0.654  0.739  0.014  1.0
  O  O17  1  0.014  0.654  0.739  1.0
  O  O18  1  0.846  0.486  0.761  1.0
  O  O19  1  0.761  0.846  0.486  1.0
  O  O20  1  0.486  0.761  0.846  1.0
  O  O21  1  0.261  0.986  0.346  1.0
  O  O22  1  0.346  0.261  0.986  1.0
  O  O23  1  0.986  0.346  0.261  1.0
  O  O24  1  0.206  0.429  0.566  1.0
  O  O25  1  0.566  0.206  0.429  1.0
  O  O26  1  0.429  0.566  0.206  1.0
  O  O27  1  0.066  0.929  0.706  1.0
  O  O28  1  0.706  0.066  0.929  1.0
  O  O29  1  0.929  0.706  0.066  1.0
  O  O30  1  0.794  0.571  0.434  1.0
  O  O31  1  0.434  0.794  0.571  1.0
  O  O32  1  0.571  0.434  0.794  1.0
  O  O33  1  0.934  0.071  0.294  1.0
  O  O34  1  0.294  0.934  0.071  1.0
  O  O35  1  0.071  0.294  0.934  1.0
[/CIF]
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The compound described by RbZr2(AsO4)3 crystallizes in the trigonal R-3c space group. Rb(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(2) atoms. Zr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ZrO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra. As(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AsO4 tetrahedra that share corners with four equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-36°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Zr(1) and one As(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Zr(1), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbZr2(AsO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.041
_cell_length_b   10.041
_cell_length_c   10.041
_cell_angle_alpha   54.240
_cell_angle_beta   54.240
_cell_angle_gamma   54.240
_symmetry_Int_Tables_number   1
_cell_volume   619.556
_cell_formula_units_Z   2
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
  Rb  Rb0  1  0.500  0.500  0.500  1.0
  Rb  Rb1  1  0.000  0.000  0.000  1.0
  Zr  Zr2  1  0.350  0.350  0.350  1.0
  Zr  Zr3  1  0.850  0.850  0.850  1.0
  Zr  Zr4  1  0.650  0.650  0.650  1.0
  Zr  Zr5  1  0.150  0.150  0.150  1.0
  As  As6  1  0.969  0.531  0.250  1.0
  As  As7  1  0.250  0.969  0.531  1.0
  As  As8  1  0.531  0.250  0.969  1.0
  As  As9  1  0.750  0.031  0.469  1.0
  As  As10  1  0.469  0.750  0.031  1.0
  As  As11  1  0.031  0.469  0.750  1.0
  O  O12  1  0.154  0.514  0.239  1.0
  O  O13  1  0.239  0.154  0.514  1.0
  O  O14  1  0.514  0.239  0.154  1.0
  O  O15  1  0.739  0.014  0.654  1.0
  O  O16  1  0.654  0.739  0.014  1.0
  O  O17  1  0.014  0.654  0.739  1.0
  O  O18  1  0.846  0.486  0.761  1.0
  O  O19  1  0.761  0.846  0.486  1.0
  O  O20  1  0.486  0.761  0.846  1.0
  O  O21  1  0.261  0.986  0.346  1.0
  O  O22  1  0.346  0.261  0.986  1.0
  O  O23  1  0.986  0.346  0.261  1.0
  O  O24  1  0.206  0.429  0.566  1.0
  O  O25  1  0.566  0.206  0.429  1.0
  O  O26  1  0.429  0.566  0.206  1.0
  O  O27  1  0.066  0.929  0.706  1.0
  O  O28  1  0.706  0.066  0.929  1.0
  O  O29  1  0.929  0.706  0.066  1.0
  O  O30  1  0.794  0.571  0.434  1.0
  O  O31  1  0.434  0.794  0.571  1.0
  O  O32  1  0.571  0.434  0.794  1.0
  O  O33  1  0.934  0.071  0.294  1.0
  O  O34  1  0.294  0.934  0.071  1.0
  O  O35  1  0.071  0.294  0.934  1.0
[/CIF]
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