The crystal structure described by CaMo2(PO5)2 crystallizes in the orthorhombic Fddd space group. Ca(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. P(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-58°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Mo(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one Mo(1), and one P(1) atom. is represented by the CIF card [CIF]
data_CaMo2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.126
_cell_length_b   8.915
_cell_length_c   7.191
_cell_angle_alpha   77.092
_cell_angle_beta   59.107
_cell_angle_gamma   43.800
_symmetry_Int_Tables_number   1
_cell_volume   373.543
_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
  Ca  Ca0  1  0.250  0.250  0.250  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Mo  Mo2  1  0.625  0.625  0.125  1.0
  Mo  Mo3  1  0.625  0.125  0.625  1.0
  Mo  Mo4  1  0.625  0.625  0.625  1.0
  Mo  Mo5  1  0.125  0.625  0.625  1.0
  P  P6  1  0.795  0.795  0.205  1.0
  P  P7  1  0.455  0.455  0.045  1.0
  P  P8  1  0.205  0.205  0.795  1.0
  P  P9  1  0.045  0.045  0.455  1.0
  O  O10  1  0.973  0.322  0.998  1.0
  O  O11  1  0.416  0.416  0.584  1.0
  O  O12  1  0.912  0.065  0.383  1.0
  O  O13  1  0.252  0.542  0.277  1.0
  O  O14  1  0.322  0.973  0.708  1.0
  O  O15  1  0.338  0.185  0.867  1.0
  O  O16  1  0.834  0.834  0.666  1.0
  O  O17  1  0.584  0.584  0.416  1.0
  O  O18  1  0.666  0.666  0.834  1.0
  O  O19  1  0.277  0.928  0.252  1.0
  O  O20  1  0.708  0.998  0.322  1.0
  O  O21  1  0.542  0.252  0.928  1.0
  O  O22  1  0.998  0.708  0.973  1.0
  O  O23  1  0.065  0.912  0.640  1.0
  O  O24  1  0.610  0.867  0.185  1.0
  O  O25  1  0.383  0.640  0.912  1.0
  O  O26  1  0.867  0.610  0.338  1.0
  O  O27  1  0.640  0.383  0.065  1.0
  O  O28  1  0.928  0.277  0.542  1.0
  O  O29  1  0.185  0.338  0.610  1.0
[/CIF]
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The crystal structure described by CaMo2(PO5)2 crystallizes in the orthorhombic Fddd space group. Ca(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. P(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-58°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Mo(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one Mo(1), and one P(1) atom. is represented by the CIF card [CIF]
data_CaMo2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.126
_cell_length_b   8.915
_cell_length_c   7.191
_cell_angle_alpha   77.092
_cell_angle_beta   59.107
_cell_angle_gamma   43.800
_symmetry_Int_Tables_number   1
_cell_volume   373.543
_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
  Ca  Ca0  1  0.250  0.250  0.250  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Mo  Mo2  1  0.625  0.625  0.125  1.0
  Mo  Mo3  1  0.625  0.125  0.625  1.0
  Mo  Mo4  1  0.625  0.625  0.625  1.0
  Mo  Mo5  1  0.125  0.625  0.625  1.0
  P  P6  1  0.795  0.795  0.205  1.0
  P  P7  1  0.455  0.455  0.045  1.0
  P  P8  1  0.205  0.205  0.795  1.0
  P  P9  1  0.045  0.045  0.455  1.0
  O  O10  1  0.973  0.322  0.998  1.0
  O  O11  1  0.416  0.416  0.584  1.0
  O  O12  1  0.912  0.065  0.383  1.0
  O  O13  1  0.252  0.542  0.277  1.0
  O  O14  1  0.322  0.973  0.708  1.0
  O  O15  1  0.338  0.185  0.867  1.0
  O  O16  1  0.834  0.834  0.666  1.0
  O  O17  1  0.584  0.584  0.416  1.0
  O  O18  1  0.666  0.666  0.834  1.0
  O  O19  1  0.277  0.928  0.252  1.0
  O  O20  1  0.708  0.998  0.322  1.0
  O  O21  1  0.542  0.252  0.928  1.0
  O  O22  1  0.998  0.708  0.973  1.0
  O  O23  1  0.065  0.912  0.640  1.0
  O  O24  1  0.610  0.867  0.185  1.0
  O  O25  1  0.383  0.640  0.912  1.0
  O  O26  1  0.867  0.610  0.338  1.0
  O  O27  1  0.640  0.383  0.065  1.0
  O  O28  1  0.928  0.277  0.542  1.0
  O  O29  1  0.185  0.338  0.610  1.0
[/CIF]
.