data_global
_amcsd_formula_title 'Mo Na0.3 O7 P2'
loop_
_publ_author_name
'Leclaire A'
'Borel M'
'Grandin A'
'Raveau B'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 184 
_journal_year 1988
_journal_page_first 247
_journal_page_last 255
_publ_section_title
;
 NaxMoP2O7, a mixed valence molybdenum diphosphate with a tunnel structure
 _cod_database_code 1001439
;
_database_code_amcsd 0010982
_chemical_formula_sum 'Mo P2 O7 Na.3'
_cell_length_a 4.8813
_cell_length_b 7.0110
_cell_length_c 8.2563
_cell_angle_alpha 91.400
_cell_angle_beta 92.466
_cell_angle_gamma 106.551
_cell_volume 270.397
_exptl_crystal_density_diffrn      3.399
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mo1   0.00000   0.00000   0.00000   1.00000
Mo2   0.50000   0.50000   0.50000   1.00000
P1  -0.38075   0.24019   0.19526   1.00000
P2   0.02281  -0.36972   0.25600   1.00000
O1  -0.18760   0.10297   0.18306   1.00000
O2   0.10535  -0.19509   0.14722   1.00000
O3   0.37337   0.18907   0.06736   1.00000
O4   0.12703   0.32130   0.59689   1.00000
O5   0.27468   0.55597   0.29875   1.00000
O6   0.52932   0.24450   0.36858   1.00000
O7  -0.20427   0.45792   0.14898   1.00000
Na1  -0.09560   0.00800   0.47660   0.30000