data_1001296
_chemical_name_systematic          'DICADMIUM TRIPHOSPHIDE BROMIDE'
_chemical_formula_structural       'CD2 P3 BR'
_chemical_formula_sum              'Br Cd2 P3'
_publ_section_title
;
Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A =
As, P; X = Cl, Br, I) et de leur solution solide
;
loop_
_publ_author_name
  'Rebbah, A'
  'Yazbeck, J'
  'Lande, R'
  'Deschanvres, A'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    16
_journal_year                      1981
_journal_page_first                525
_journal_page_last                 533
_cell_length_a                     8.077(1)
_cell_length_b                     9.088(2)
_cell_length_c                     7.534(3)
_cell_angle_alpha                  90
_cell_angle_beta                   100.3(2)
_cell_angle_gamma                  90
_cell_volume                       544.1
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 c 1'
_symmetry_Int_Tables_number        9
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cd2+   2.000
  P1-   -1.000
  Br1-  -1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Cd1   Cd2+   4 a 0. 0.147(2) 0. 1.  0 d
  Cd2   Cd2+   4 a 0.504(2) 0.147(2) 0.08(2) 1.  0 d
  P1    P1-    4 a 0.130(6) 0.038(3) 0.315(9) 1.  0 d
  P2    P1-    4 a -0.25(1) 0.292(3) 0.005(6) 1.  0 d
  P3    P1-    4 a 0.378(7) 0.040(3) -0.21(1) 1.  0 d
  Br1   Br1-   4 a 0.249(4) 0.374(2) 0.07(4) 1.  0 d
_refine_ls_R_factor_all            0.08