data_1007224
_chemical_name_systematic
;
Copper dilithium bis(guanidinium) cyclo-hexaphosphate tetrahydrate
;
_chemical_formula_structural       'Cu Li2 (C (N H2)3)2 (P6 O18) (H2 O)4'
_chemical_formula_sum              'H20 Cu Li2 N6 O22 P6'
_publ_section_title
;
Copper-dilithium-(bis)guanidinium cyclohexaphosphate tetrahydrate
;
loop_
_publ_author_name
  'Averbuch, - Pouchot M - T'
  'Durif, A'
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_coden_ASTM                EJSCE5
_journal_volume                    30
_journal_year                      1993
_journal_page_first                943
_journal_page_last                 951
_cell_length_a                     9.455(3)
_cell_length_b                     9.211(4)
_cell_length_c                     7.503(4)
_cell_angle_alpha                  108.17(5)
_cell_angle_beta                   109.56(5)
_cell_angle_gamma                  84.72(4)
_cell_volume                       585.0
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cu2+   2.000
  P5+    5.000
  O2-   -2.000
  C4+    4.000
  N3-   -3.000
  Li1+   1.000
  H1+    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
  Cu1   Cu2+   1 h 0.5 0.5 0.5 1.  0 d
  P1    P5+    2 i 0.65598(4) 0.20077(5) 0.32720(6) 1.  0 d
  P2    P5+    2 i 0.79772(4) 0.00353(5) 0.57116(6) 1.  0 d
  P3    P5+    2 i 0.65596(4) 0.82074(5) 0.72355(6) 1.  0 d
  O1    O2-    2 i 0.2540(1) 0.8653(2) 0.8050(2) 1.  0 d
  O2    O2-    2 i 0.6416(1) 0.3704(1) 0.3855(2) 1.  0 d
  O3    O2-    2 i 0.7179(2) 0.1554(2) 0.5261(2) 1.  0 d
  O4    O2-    2 i 0.5060(1) 0.8779(2) 0.7773(2) 1.  0 d
  O5    O2-    2 i 0.7905(2) 0.8848(2) 0.3815(2) 1.  0 d
  O6    O2-    2 i 0.0591(2) 0.9497(2) 0.2720(2) 1.  0 d
  O7    O2-    2 i 0.6793(1) 0.9617(2) 0.6577(2) 1.  0 d
  O8    O2-    2 i 0.2239(1) 0.1868(2) 0.0951(2) 1.  0 d
  O9    O2-    2 i 0.3786(1) 0.3182(2) 0.4521(2) 1.  0 d
  C1    C4+    2 i 0.0515(2) 0.5070(2) 0.7567(3) 1.  0 d
  N1    N3-    2 i 0.0383(2) 0.6569(2) 0.8135(3) 1.  2 d
  N2    N3-    2 i 0.8350(2) 0.5551(2) 0.3035(3) 1.  2 d
  N3    N3-    2 i 0.9513(2) 0.4188(2) 0.7622(3) 1.  2 d
  O10   O2-    2 i 0.5018(2) 0.7346(2) 0.1137(3) 1.  2 d
  O11   O2-    2 i 0.3572(2) 0.5157(2) 0.1789(2) 1.  2 d
  Li1   Li1+   2 i 0.8498(3) 0.9414(4) 0.1724(5) 1.  0 d
  H1    H1+    2 i 0.970(4) 0.692(4) 0.847(5) 1.  0 d
  H2    H1+    2 i 0.901(4) 0.298(4) 0.195(5) 1.  0 d
  H3    H1+    2 i 0.225(4) 0.499(4) 0.681(5) 1.  0 d
  H4    H1+    2 i 0.160(4) 0.361(5) 0.642(5) 1.  0 d
  H5    H1+    2 i 0.952(4) 0.345(5) 0.735(6) 1.  0 d
  H6    H1+    2 i 0.873(4) 0.457(4) 0.791(5) 1.  0 d
  H7    H1+    2 i 0.427(4) 0.234(5) 0.811(5) 1.  0 d
  H8    H1+    2 i 0.442(4) 0.795(5) 0.085(5) 1.  0 d
  H9    H1+    2 i 0.386(4) 0.581(5) 0.161(5) 1.  0 d
  H10   H1+    2 i 0.368(4) 0.445(5) 0.118(5) 1.  0 d
_refine_ls_R_factor_all            0.024