data_1001599
_chemical_name_systematic          'Strontium phyllo-molybdophosphate *'
_chemical_formula_structural       'Sr (Mo3 P2 O14)'
_chemical_formula_sum              'Mo3 O14 P2 Sr'
_publ_section_title
;
New mixed-valent molybdenum monophosphates with the KMo~3~P~2~O~14~
structure
;
loop_
_publ_author_name
  'Borel, M M'
  'Guesdon, A'
  'Leclaire, A'
  'Grandin, A'
  'Raveau, B'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_coden_ASTM                ZAACAB
_journal_volume                    620
_journal_year                      1994
_journal_page_first                569
_journal_page_last                 573
_cell_length_a                     8.288(1)
_cell_length_b                     6.430(1)
_cell_length_c                     10.648(3)
_cell_angle_alpha                  90
_cell_angle_beta                   112.83(2)
_cell_angle_gamma                  90
_cell_volume                       523.0
_cell_formula_units_Z              2
_exptl_crystal_density_meas        4.2
_symmetry_space_group_name_H-M     'P 1 21/m 1'
_symmetry_Int_Tables_number        11
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
  'x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mo5+   5.000
  Mo6+   6.000
  P5+    5.000
  Sr2+   2.000
  O2-   -2.000
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
  Mo1   Mo5+   2 e 0.2494(3) 0.25 0.0143(3) 1.  0 d
  Mo2   Mo5+   2 e 0.2620(3) 0.25 0.3314(3) 1.  0 d
  Mo3   Mo6+   2 e 0.8359(3) 0.25 0.3782(3) 1.  0 d
  P1    P5+    2 e 0.8442(9) 0.25 0.0617(8) 1.  0 d
  P2    P5+    2 e 0.1186(9) 0.75 0.2998(8) 1.  0 d
  Sr1   Sr2+   2 e 0.4843(3) 0.75 0.2506(3) 1.  0 d
  O1    O2-    2 e 0.398(2) 0.25 -0.060(2) 1.  0 d
  O2    O2-    2 e 0.038(2) 0.25 0.834(2) 1.  0 d
  O3    O2-    4 f 0.237(2) 0.561(3) 0.034(1) 1.  0 d
  O4    O2-    2 e 0.374(2) 0.25 0.204(2) 1.  0 d
  O5    O2-    2 e 0.041(2) 0.25 0.114(2) 1.  0 d
  O6    O2-    2 e 0.427(2) 0.25 0.478(2) 1.  0 d
  O7    O2-    2 e 0.062(2) 0.25 0.388(2) 1.  0 d
  O8    O2-    4 f 0.238(2) 0.568(2) 0.306(1) 1.  0 d
  O9    O2-    4 f 0.715(2) 0.027(3) 0.360(1) 1.  0 d
  O10   O2-    2 e 0.775(2) 0.25 0.172(2) 1.  0 d
  O11   O2-    2 e 0.935(2) 0.25 0.577(2) 1.  0 d
_refine_ls_R_factor_all            0.052