The material described by RbCa(NH2)3 crystallizes in the monoclinic C2/c space group. Rb(1) is bonded in a 14-coordinate geometry to four equivalent N(2), two equivalent H(3), four equivalent H(1), and four equivalent H(2) atoms. Ca(1) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form distorted face-sharing CaN6 octahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted water-like geometry to two equivalent Ca(1) and two equivalent H(1) atoms. In the second N site, N(2) is bonded in a distorted water-like geometry to two equivalent Rb(1), two equivalent Ca(1), one H(2), and one H(3) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to two equivalent Rb(1) and one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to two equivalent Rb(1) and one N(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Rb(1) and one N(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbCa(H2N)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.059
_cell_length_b   7.059
_cell_length_c   6.679
_cell_angle_alpha   79.395
_cell_angle_beta   79.395
_cell_angle_gamma   116.955
_symmetry_Int_Tables_number   1
_cell_volume   277.671
_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  0.289  0.711  0.750  1.0
  Rb  Rb1  1  0.711  0.289  0.250  1.0
  Ca  Ca2  1  0.000  0.000  0.500  1.0
  Ca  Ca3  1  0.000  0.000  0.000  1.0
  H  H4  1  0.097  0.685  0.336  1.0
  H  H5  1  0.315  0.903  0.164  1.0
  H  H6  1  0.903  0.315  0.664  1.0
  H  H7  1  0.685  0.097  0.836  1.0
  H  H8  1  0.197  0.465  0.198  1.0
  H  H9  1  0.535  0.803  0.302  1.0
  H  H10  1  0.803  0.535  0.802  1.0
  H  H11  1  0.465  0.197  0.698  1.0
  H  H12  1  0.676  0.657  0.887  1.0
  H  H13  1  0.343  0.324  0.613  1.0
  H  H14  1  0.324  0.343  0.113  1.0
  H  H15  1  0.657  0.676  0.387  1.0
  N  N16  1  0.847  0.153  0.750  1.0
  N  N17  1  0.153  0.847  0.250  1.0
  N  N18  1  0.166  0.318  0.165  1.0
  N  N19  1  0.682  0.834  0.335  1.0
  N  N20  1  0.834  0.682  0.835  1.0
  N  N21  1  0.318  0.166  0.665  1.0
[/CIF]
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The material described by RbCa(NH2)3 crystallizes in the monoclinic C2/c space group. Rb(1) is bonded in a 14-coordinate geometry to four equivalent N(2), two equivalent H(3), four equivalent H(1), and four equivalent H(2) atoms. Ca(1) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form distorted face-sharing CaN6 octahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted water-like geometry to two equivalent Ca(1) and two equivalent H(1) atoms. In the second N site, N(2) is bonded in a distorted water-like geometry to two equivalent Rb(1), two equivalent Ca(1), one H(2), and one H(3) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to two equivalent Rb(1) and one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to two equivalent Rb(1) and one N(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Rb(1) and one N(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbCa(H2N)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.059
_cell_length_b   7.059
_cell_length_c   6.679
_cell_angle_alpha   79.395
_cell_angle_beta   79.395
_cell_angle_gamma   116.955
_symmetry_Int_Tables_number   1
_cell_volume   277.671
_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  0.289  0.711  0.750  1.0
  Rb  Rb1  1  0.711  0.289  0.250  1.0
  Ca  Ca2  1  0.000  0.000  0.500  1.0
  Ca  Ca3  1  0.000  0.000  0.000  1.0
  H  H4  1  0.097  0.685  0.336  1.0
  H  H5  1  0.315  0.903  0.164  1.0
  H  H6  1  0.903  0.315  0.664  1.0
  H  H7  1  0.685  0.097  0.836  1.0
  H  H8  1  0.197  0.465  0.198  1.0
  H  H9  1  0.535  0.803  0.302  1.0
  H  H10  1  0.803  0.535  0.802  1.0
  H  H11  1  0.465  0.197  0.698  1.0
  H  H12  1  0.676  0.657  0.887  1.0
  H  H13  1  0.343  0.324  0.613  1.0
  H  H14  1  0.324  0.343  0.113  1.0
  H  H15  1  0.657  0.676  0.387  1.0
  N  N16  1  0.847  0.153  0.750  1.0
  N  N17  1  0.153  0.847  0.250  1.0
  N  N18  1  0.166  0.318  0.165  1.0
  N  N19  1  0.682  0.834  0.335  1.0
  N  N20  1  0.834  0.682  0.835  1.0
  N  N21  1  0.318  0.166  0.665  1.0
[/CIF]
.