The crystal structure described by Rb2Zr(MoO4)3 crystallizes in the monoclinic Cc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(12), one O(6), one O(8), two equivalent O(7), and two equivalent O(9) atoms. In the second Rb site, Rb(2) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(8), one O(9), two equivalent O(3), and two equivalent O(6) atoms. Zr(1) is bonded to one O(10), one O(11), one O(12), one O(2), one O(4), and one O(5) atom to form ZrO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, and corners with two equivalent Mo(3)O4 tetrahedra. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form MoO4 tetrahedra that share corners with two equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-39°. In the second Mo site, Mo(2) is bonded to one O(11), one O(12), one O(8), and one O(9) atom to form MoO4 tetrahedra that share corners with two equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-41°. In the third Mo site, Mo(3) is bonded to one O(10), one O(3), one O(5), and one O(7) atom to form MoO4 tetrahedra that share corners with two equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are twelve inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Rb(2), one Zr(1), and one Mo(3) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Rb(2), and one Mo(1) atom. In the third O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one Mo(3) atom. In the fourth O site, O(8) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), and one Mo(2) atom. In the fifth O site, O(9) is bonded in a distorted single-bond geometry to one Rb(2), two equivalent Rb(1), and one Mo(2) atom. In the sixth O site, O(10) is bonded in a bent 150 degrees geometry to one Zr(1) and one Mo(3) atom. In the seventh O site, O(11) is bonded in a bent 150 degrees geometry to one Rb(1), one Zr(1), and one Mo(2) atom. In the eighth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Zr(1), and one Mo(2) atom. In the ninth O site, O(1) is bonded in a single-bond geometry to one Rb(1), one Rb(2), and one Mo(1) atom. In the tenth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Rb(2), one Zr(1), and one Mo(1) atom. In the eleventh O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Rb(2) and one Mo(3) atom. In the twelfth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Rb(2), one Zr(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_Rb2Zr(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.457
_cell_length_b   10.457
_cell_length_c   10.919
_cell_angle_alpha   75.294
_cell_angle_beta   75.294
_cell_angle_gamma   40.288
_symmetry_Int_Tables_number   1
_cell_volume   743.228
_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  0.899  0.934  0.634  1.0
  Rb  Rb1  1  0.934  0.899  0.134  1.0
  Rb  Rb2  1  0.215  0.275  0.998  1.0
  Rb  Rb3  1  0.275  0.215  0.498  1.0
  Zr  Zr4  1  0.581  0.580  0.561  1.0
  Zr  Zr5  1  0.580  0.581  0.061  1.0
  Mo  Mo6  1  0.804  0.619  0.744  1.0
  Mo  Mo7  1  0.619  0.804  0.244  1.0
  Mo  Mo8  1  0.354  0.540  0.384  1.0
  Mo  Mo9  1  0.540  0.354  0.884  1.0
  Mo  Mo10  1  0.967  0.199  0.309  1.0
  Mo  Mo11  1  0.199  0.967  0.809  1.0
  O  O12  1  0.606  0.878  0.719  1.0
  O  O13  1  0.878  0.606  0.219  1.0
  O  O14  1  0.791  0.523  0.634  1.0
  O  O15  1  0.523  0.791  0.134  1.0
  O  O16  1  0.132  0.184  0.782  1.0
  O  O17  1  0.184  0.132  0.282  1.0
  O  O18  1  0.774  0.551  0.915  1.0
  O  O19  1  0.551  0.774  0.415  1.0
  O  O20  1  0.349  0.830  0.668  1.0
  O  O21  1  0.830  0.349  0.168  1.0
  O  O22  1  0.022  0.553  0.708  1.0
  O  O23  1  0.553  0.022  0.208  1.0
  O  O24  1  0.984  0.031  0.832  1.0
  O  O25  1  0.031  0.984  0.332  1.0
  O  O26  1  0.281  0.537  0.918  1.0
  O  O27  1  0.537  0.281  0.418  1.0
  O  O28  1  0.128  0.625  0.405  1.0
  O  O29  1  0.625  0.128  0.905  1.0
  O  O30  1  0.814  0.335  0.453  1.0
  O  O31  1  0.335  0.814  0.953  1.0
  O  O32  1  0.597  0.404  0.717  1.0
  O  O33  1  0.404  0.597  0.217  1.0
  O  O34  1  0.634  0.368  0.997  1.0
  O  O35  1  0.368  0.634  0.497  1.0
[/CIF]
.
The crystal structure described by Rb2Zr(MoO4)3 crystallizes in the monoclinic Cc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(12), one O(6), one O(8), two equivalent O(7), and two equivalent O(9) atoms. In the second Rb site, Rb(2) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(8), one O(9), two equivalent O(3), and two equivalent O(6) atoms. Zr(1) is bonded to one O(10), one O(11), one O(12), one O(2), one O(4), and one O(5) atom to form ZrO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, and corners with two equivalent Mo(3)O4 tetrahedra. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form MoO4 tetrahedra that share corners with two equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-39°. In the second Mo site, Mo(2) is bonded to one O(11), one O(12), one O(8), and one O(9) atom to form MoO4 tetrahedra that share corners with two equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-41°. In the third Mo site, Mo(3) is bonded to one O(10), one O(3), one O(5), and one O(7) atom to form MoO4 tetrahedra that share corners with two equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are twelve inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Rb(2), one Zr(1), and one Mo(3) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Rb(2), and one Mo(1) atom. In the third O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one Mo(3) atom. In the fourth O site, O(8) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), and one Mo(2) atom. In the fifth O site, O(9) is bonded in a distorted single-bond geometry to one Rb(2), two equivalent Rb(1), and one Mo(2) atom. In the sixth O site, O(10) is bonded in a bent 150 degrees geometry to one Zr(1) and one Mo(3) atom. In the seventh O site, O(11) is bonded in a bent 150 degrees geometry to one Rb(1), one Zr(1), and one Mo(2) atom. In the eighth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Zr(1), and one Mo(2) atom. In the ninth O site, O(1) is bonded in a single-bond geometry to one Rb(1), one Rb(2), and one Mo(1) atom. In the tenth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Rb(2), one Zr(1), and one Mo(1) atom. In the eleventh O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Rb(2) and one Mo(3) atom. In the twelfth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Rb(2), one Zr(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_Rb2Zr(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.457
_cell_length_b   10.457
_cell_length_c   10.919
_cell_angle_alpha   75.294
_cell_angle_beta   75.294
_cell_angle_gamma   40.288
_symmetry_Int_Tables_number   1
_cell_volume   743.228
_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  0.899  0.934  0.634  1.0
  Rb  Rb1  1  0.934  0.899  0.134  1.0
  Rb  Rb2  1  0.215  0.275  0.998  1.0
  Rb  Rb3  1  0.275  0.215  0.498  1.0
  Zr  Zr4  1  0.581  0.580  0.561  1.0
  Zr  Zr5  1  0.580  0.581  0.061  1.0
  Mo  Mo6  1  0.804  0.619  0.744  1.0
  Mo  Mo7  1  0.619  0.804  0.244  1.0
  Mo  Mo8  1  0.354  0.540  0.384  1.0
  Mo  Mo9  1  0.540  0.354  0.884  1.0
  Mo  Mo10  1  0.967  0.199  0.309  1.0
  Mo  Mo11  1  0.199  0.967  0.809  1.0
  O  O12  1  0.606  0.878  0.719  1.0
  O  O13  1  0.878  0.606  0.219  1.0
  O  O14  1  0.791  0.523  0.634  1.0
  O  O15  1  0.523  0.791  0.134  1.0
  O  O16  1  0.132  0.184  0.782  1.0
  O  O17  1  0.184  0.132  0.282  1.0
  O  O18  1  0.774  0.551  0.915  1.0
  O  O19  1  0.551  0.774  0.415  1.0
  O  O20  1  0.349  0.830  0.668  1.0
  O  O21  1  0.830  0.349  0.168  1.0
  O  O22  1  0.022  0.553  0.708  1.0
  O  O23  1  0.553  0.022  0.208  1.0
  O  O24  1  0.984  0.031  0.832  1.0
  O  O25  1  0.031  0.984  0.332  1.0
  O  O26  1  0.281  0.537  0.918  1.0
  O  O27  1  0.537  0.281  0.418  1.0
  O  O28  1  0.128  0.625  0.405  1.0
  O  O29  1  0.625  0.128  0.905  1.0
  O  O30  1  0.814  0.335  0.453  1.0
  O  O31  1  0.335  0.814  0.953  1.0
  O  O32  1  0.597  0.404  0.717  1.0
  O  O33  1  0.404  0.597  0.217  1.0
  O  O34  1  0.634  0.368  0.997  1.0
  O  O35  1  0.368  0.634  0.497  1.0
[/CIF]
.