data_1007257
_chemical_name_systematic
;
Potassium magnesium tris(catena-phosphate(V))
;
_chemical_formula_structural       'K Mg (P O3)3'
_chemical_formula_sum              'K Mg O9 P3'
_publ_section_title
;
Etude cristallographique de trimetaphosphates hexagonaux du type M(II)
N H4 (P O3)3 (M(II)= Zn, Co, Ca, Cd, Mg, Mn). Etude d'un cycle P3 O9
dans un sel de potassium isomorphe. Mg K (P O3)3
;
loop_
_publ_author_name
  'Masse, R'
  'Grenier, J C'
  'Averbuch-Pouchot, M T'
  'Tranqui, D'
  'Durif, A'
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
(72,1949-100,1977)
;
_journal_coden_ASTM                BUFCAE
_journal_volume                    90
_journal_year                      1967
_journal_page_first                158
_journal_page_last                 161
_cell_length_a                     6.605
_cell_length_b                     6.605
_cell_length_c                     9.772
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       369.2
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P -6 c 2'
_symmetry_Int_Tables_number        188
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'x,y,1/2-z'
  '-y,x-y,1/2-z'
  'y-x,-x,1/2-z'
  '-y,-x,1/2+z'
  'y-x,y,1/2+z'
  'x,x-y,1/2+z'
  '-y,-x,-z'
  'y-x,y,-z'
  'x,x-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  K1+    1.000
  Mg2+   2.000
  P5+    5.000
  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
  K1    K1+    2 e 0.6667 0.3333 0. 1.  0 d
  Mg1   Mg2+   2 c 0.3333 0.6667 0. 1.  0 d
  P1    P5+    6 k 0.223 -0.057 0.25 1.  0 d
  O1    O2-    6 k 0.248 0.192 0.25 1.  0 d
  O2    O2-   12 l 0.323 -0.08 0.125 1.  0 d
_refine_ls_R_factor_all            0.093