data_1008522
_chemical_name_systematic          'Dicaesium catena-diphosphidosilicate'
_chemical_formula_structural       'Cs2 (Si P2)'
_chemical_formula_sum              'Cs2 P2 Si'
_publ_section_title
;
SiS~2~-isostrukturelle Anionen (SiP~2~^2-^),(GeAs~2~^2-^) und
(SnAs~2~^2-^) in Alkaliverbindungen
;
loop_
_publ_author_name
  'Eisenmann, B'
  'Klein, J'
_journal_name_full                 'Journal of the Less-Common Metals'
_journal_coden_ASTM                JCOMAH
_journal_volume                    175
_journal_year                      1991
_journal_page_first                109
_journal_page_last                 117
_cell_length_a                     14.127(4)
_cell_length_b                     7.462(3)
_cell_length_c                     6.196(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       653.2
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'I b a m'
_symmetry_Int_Tables_number        72
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,1/2-z'
  'x,-y,1/2-z'
  '-x,-y,-z'
  'x,y,-z'
  'x,-y,1/2+z'
  '-x,y,1/2+z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2-y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cs1+   1.000
  Si4+   4.000
  P3-   -3.000
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
  Cs1   Cs1+   8 j 0.3511(1) 0.3364(1) 0. 1.  0 d
  Si1   Si4+   4 b 0.5 0. 0.25 1.  0 d
  P1    P3-    8 j 0.0873(2) 0.3480(4) 0. 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Cs1   0.0277(4) 0.0076(3) 0. 0.0281(4) 0. 0.0271(4)
  Si1   0.0184(18) 0. 0. 0.0138(18) 0. 0.0123(18)
  P1    0.0205(13) 0.0075(12) 0. 0.0174(14) 0. 0.0194(14)
_refine_ls_R_factor_all            0.043