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#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/1/1001295.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1001295
_chemical_name_systematic          'DICADMIUM TRIPHOSPHIDE IODIDE'
_chemical_formula_structural       'CD2 P3 I'
_chemical_formula_sum              'Cd2 I 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                     8.243(1)
_cell_length_b                     9.334(2)
_cell_length_c                     7.516(2)
_cell_angle_alpha                  90
_cell_angle_beta                   99.8(2)
_cell_angle_gamma                  90
_cell_volume                       569.8
_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
  I1-   -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. 0.141(2) 0. 1.  0 d
  Cd2   Cd2+   4 a 0.500(3) 0.145(3) 0.069(3) 1.  0 d
  P1    P1-    4 a 0.147(9) 0.043(5) 0.324(7) 1.  0 d
  P2    P1-    4 a -0.258(9) 0.290(5) 0.04(1) 1.  0 d
  P3    P1-    4 a 0.388(6) 0.044(3) -0.239(4) 1.  0 d
  I1    I1-    4 a 0.240(1) 0.374(4) 0.060(1) 1.  0 d
_refine_ls_R_factor_all            0.084
_cod_database_code 1001295