data_1007135
_chemical_name_systematic          'Copper trisodium triphosphate dodecahydrate'
_chemical_formula_structural       'Cu Na3 P3 O10 (H2 O)12'
_chemical_formula_sum              'H24 Cu Na3 O22 P3'
_publ_section_title
;
Structure du Phosphate de Cuivre(II) et de Trisodium Dodecahydrate, Cu
Na~3~ P~3~ O~10~ (H~2~ O)~12~
;
loop_
_publ_author_name
  'Jouini, O'
  'Dabbabi, M'
  'Averbuch-Pouchot, MT'
  'Guitel, J C'
  'Durif, A'
_journal_name_full                 'Acta Crystallographica C (39,1983-)'
_journal_coden_ASTM                ACSCEE
_journal_volume                    40
_journal_year                      1984
_journal_page_first                728
_journal_page_last                 730
_cell_length_a                     15.052(8)
_cell_length_b                     9.234(3)
_cell_length_c                     14.767(8)
_cell_angle_alpha                  90
_cell_angle_beta                   90.03(5)
_cell_angle_gamma                  90
_cell_volume                       2052.5
_cell_formula_units_Z              4
_exptl_crystal_density_meas        1.95
_symmetry_space_group_name_H-M     'P 1 21/n 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cu2+   2.000
  P5+    5.000
  Na1+   1.000
  O2-   -2.000
  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+   4 e 0.17784(5) 0.04017(8) 0.25279(5) 1.  0 d
  P1    P5+    4 e 0.0993(1) 0.2760(2) 0.3865(1) 1.  0 d
  P2    P5+    4 e 0.9849(1) 0.1519(2) 0.2397(1) 1.  0 d
  P3    P5+    4 e 0.0973(1) 0.2674(2) 0.0932(1) 1.  0 d
  Na1   Na1+   4 e 0.4376(2) 0.2632(3) 0.2426(2) 1.  0 d
  Na2   Na1+   4 e 0.2917(2) 0.4671(3) 0.8547(2) 1.  0 d
  Na3   Na1+   4 e 0.3021(2) 0.3038(4) 0.6111(3) 1.  0 d
  O1    O2-    4 e 0.0556(3) 0.2097(5) 0.4700(3) 1.  0 d
  O2    O2-    4 e 0.1723(3) 0.1935(5) 0.3482(3) 1.  0 d
  O3    O2-    4 e 0.1130(3) 0.4356(5) 0.3948(3) 1.  0 d
  O4    O2-    4 e 0.0154(3) 0.2708(5) 0.3099(4) 1.  0 d
  O5    O2-    4 e 0.3873(3) 0.3633(5) 0.7434(3) 1.  0 d
  O6    O2-    4 e 0.0419(3) 0.0202(5) 0.2520(3) 1.  0 d
  O7    O2-    4 e 0.5050(3) 0.2726(5) 0.6451(3) 1.  0 d
  O8    O2-    4 e 0.1065(3) 0.4294(5) 0.0962(3) 1.  0 d
  O9    O2-    4 e 0.1720(3) 0.1916(5) 0.1418(3) 1.  0 d
  O10   O2-    4 e 0.0781(3) 0.2090(5) -0.0015(3) 1.  0 d
  O11   O2-    4 e 0.1869(3) 0.5471(5) 0.2450(3) 1.  2 d
  O12   O2-    4 e 0.3216(3) 0.3676(5) 0.3347(3) 1.  2 d
  O13   O2-    4 e 0.5143(3) 0.1319(5) 0.3554(4) 1.  2 d
  O14   O2-    4 e 0.3947(3) 0.4352(6) 0.9760(4) 1.  2 d
  O15   O2-    4 e 0.2825(3) 0.1027(6) 0.5117(4) 1.  2 d
  O16   O2-    4 e 0.1757(3) 0.2096(6) 0.6952(4) 1.  2 d
  O17   O2-    4 e 0.5173(3) 0.1446(6) 0.1240(3) 1.  2 d
  O18   O2-    4 e 0.2219(3) 0.2362(4) 0.8791(4) 1.  2 d
  O19   O2-    4 e 0.3255(3) 0.3524(6) 0.1419(4) 1.  2 d
  O20   O2-    4 e 0.3938(3) 0.4164(5) 0.4999(4) 1.  2 d
  O21   O2-    4 e 0.1900(4) 0.4863(6) 0.5638(4) 1.  2 d
  O22   O2-    4 e 0.3443(4) 0.0344(7) 0.7215(5) 1.  2 d
  H1    H1+    4 ? -1. -1. -1. 24.  0 dum
_refine_ls_R_factor_all            0.045