data_1001636
_chemical_name_systematic
;
Mercury molybdenum strontium copper carbonate oxide (0.5/0.5/4/2/1/6.21)
;
_chemical_formula_structural       '(Hg0.52 Mo0.48) Sr4 Cu2 (C O3) O6.21'
_chemical_formula_sum              'Cu2 Hg.52 Mo.48 O9.21 Sr4'
_publ_section_title
;
Two transition-metal-substituted superconducting mercury-based
oxycarbonates, Hg(1-x) Mx Sr4 Cu2 (C O3) O(6+d) (M=Cr and Mo)
;
loop_
_publ_author_name
  'Pelloquin, D'
  'Hervieu, M'
  'Malo, S'
  'Michel, C'
  'Maignan, A'
  'Raveau, B'
_journal_name_full                 'Physica C (Amsterdam) (152,1988-)'
_journal_coden_ASTM                PHYCE6
_journal_volume                    246
_journal_year                      1995
_journal_page_first                1
_journal_page_last                 10
_cell_length_a                     3.8448(1)
_cell_length_b                     3.8448(1)
_cell_length_c                     16.31729(70)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       241.2
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P 4/m m m'
_symmetry_Int_Tables_number        123
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,z'
  'x,-y,z'
  '-y,x,z'
  'y,-x,z'
  'y,x,z'
  '-y,-x,z'
  '-x,-y,-z'
  'x,y,-z'
  'x,-y,-z'
  '-x,y,-z'
  'y,-x,-z'
  '-y,x,-z'
  '-y,-x,-z'
  'y,x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Hg2+   2.000
  Mo2+   2.000
  Sr2+   2.000
  Cu2+   2.210
  C4+    4.000
  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
  Hg1   Hg2+   1 a 0. 0. 0. 0.52(1)  0 d
  Mo1   Mo2+   1 a 0. 0. 0. 0.48(1)  0 d
  Sr1   Sr2+   2 h 0.5 0.5 0.1573(3) 1.  0 d
  Sr2   Sr2+   2 h 0.5 0.5 0.3759(3) 1.  0 d
  Cu1   Cu2+   2 g 0. 0. 0.2657(3) 1.  0 d
  C1    C4+    1 b 0. 0. 0.5 1.  0 d
  O1    O2-    1 c 0.5 0.5 0. 0.21(4)  0 d
  O2    O2-    2 g 0. 0. 0.1183(3) 1.  0 d
  O3    O2-    2 g 0. 0. 0.4238(5) 1.  0 d
  O4    O2-    4 m 0.675 0. 0.5 0.25  0 d
  O5    O2-    4 i 0.5 0. 0.2807(4) 1.  0 d
_refine_ls_R_factor_all            0.1