The material described by CaNp(PO4)2 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 9-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one O(7), two equivalent O(1), and two equivalent O(8) atoms. Np(1) is bonded in a 9-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one O(8), two equivalent O(2), and two equivalent O(7) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(6), and one O(7) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(5), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ca(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Np(1) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Np(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one Np(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Np(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Np(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ca(1), two equivalent Np(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Ca(1), one Np(1), and one P(2) atom. is represented by the CIF card [CIF]
data_CaNp(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.375
_cell_length_b   6.694
_cell_length_c   6.906
_cell_angle_alpha   89.426
_cell_angle_beta   89.698
_cell_angle_gamma   76.065
_symmetry_Int_Tables_number   1
_cell_volume   285.992
_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  0.907  0.286  0.350  1.0
  Ca  Ca1  1  0.093  0.714  0.650  1.0
  Np  Np2  1  0.392  0.781  0.166  1.0
  Np  Np3  1  0.608  0.219  0.834  1.0
  P  P4  1  0.387  0.303  0.335  1.0
  P  P5  1  0.885  0.807  0.161  1.0
  P  P6  1  0.613  0.697  0.665  1.0
  P  P7  1  0.115  0.193  0.839  1.0
  O  O8  1  0.191  0.476  0.387  1.0
  O  O9  1  0.684  0.978  0.094  1.0
  O  O10  1  0.809  0.524  0.613  1.0
  O  O11  1  0.316  0.022  0.906  1.0
  O  O12  1  0.300  0.113  0.288  1.0
  O  O13  1  0.771  0.633  0.211  1.0
  O  O14  1  0.700  0.887  0.712  1.0
  O  O15  1  0.229  0.367  0.789  1.0
  O  O16  1  0.934  0.252  0.994  1.0
  O  O17  1  0.440  0.747  0.502  1.0
  O  O18  1  0.066  0.748  0.006  1.0
  O  O19  1  0.560  0.253  0.498  1.0
  O  O20  1  0.499  0.384  0.157  1.0
  O  O21  1  0.999  0.886  0.331  1.0
  O  O22  1  0.501  0.616  0.843  1.0
  O  O23  1  0.001  0.114  0.669  1.0
[/CIF]
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The material described by CaNp(PO4)2 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 9-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one O(7), two equivalent O(1), and two equivalent O(8) atoms. Np(1) is bonded in a 9-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one O(8), two equivalent O(2), and two equivalent O(7) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(6), and one O(7) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(5), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ca(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Np(1) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Np(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one Np(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Np(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Np(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ca(1), two equivalent Np(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Ca(1), one Np(1), and one P(2) atom. is represented by the CIF card [CIF]
data_CaNp(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.375
_cell_length_b   6.694
_cell_length_c   6.906
_cell_angle_alpha   89.426
_cell_angle_beta   89.698
_cell_angle_gamma   76.065
_symmetry_Int_Tables_number   1
_cell_volume   285.992
_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  0.907  0.286  0.350  1.0
  Ca  Ca1  1  0.093  0.714  0.650  1.0
  Np  Np2  1  0.392  0.781  0.166  1.0
  Np  Np3  1  0.608  0.219  0.834  1.0
  P  P4  1  0.387  0.303  0.335  1.0
  P  P5  1  0.885  0.807  0.161  1.0
  P  P6  1  0.613  0.697  0.665  1.0
  P  P7  1  0.115  0.193  0.839  1.0
  O  O8  1  0.191  0.476  0.387  1.0
  O  O9  1  0.684  0.978  0.094  1.0
  O  O10  1  0.809  0.524  0.613  1.0
  O  O11  1  0.316  0.022  0.906  1.0
  O  O12  1  0.300  0.113  0.288  1.0
  O  O13  1  0.771  0.633  0.211  1.0
  O  O14  1  0.700  0.887  0.712  1.0
  O  O15  1  0.229  0.367  0.789  1.0
  O  O16  1  0.934  0.252  0.994  1.0
  O  O17  1  0.440  0.747  0.502  1.0
  O  O18  1  0.066  0.748  0.006  1.0
  O  O19  1  0.560  0.253  0.498  1.0
  O  O20  1  0.499  0.384  0.157  1.0
  O  O21  1  0.999  0.886  0.331  1.0
  O  O22  1  0.501  0.616  0.843  1.0
  O  O23  1  0.001  0.114  0.669  1.0
[/CIF]
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