data_global
_chemical_name_mineral 'Niahite'
loop_
_publ_author_name
'Carling S G'
'Day P'
'Visser D'
_journal_name_full 'Inorganic Chemistry'
_journal_volume 34 
_journal_year 1995
_journal_page_first 3917
_journal_page_last 3927
_publ_section_title
;
 Crystal and magnetic structures of layer transition metal phosphate hydrates
 Sample: T = 1.6 K
 Note: atomic positions from ICSD
;
_database_code_amcsd 0012714
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'N D6 Mn P O5'
_cell_length_a 5.7173
_cell_length_b 8.8312
_cell_length_c 4.8774
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 246.263
_exptl_crystal_density_diffrn      2.589
_symmetry_space_group_name_H-M 'P m n 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,-y,1/2+z'
  '-x,y,z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
N   0.00000   0.52670   0.14030   0.00975
D1   0.00000   0.46320   0.32060   0.02077
D2   0.00000   0.45500  -0.03440   0.01482
D3   0.14910   0.58920   0.13910   0.02672
Mn   0.00000  -0.02190   0.01850   0.00507
P   0.00000   0.19660   0.59050   0.00203
O1   0.00000   0.16910   0.28280   0.01254
O2   0.00000   0.37180   0.64370   0.00557
O3   0.21770   0.12500   0.73140   0.00393
O4   0.00000   0.78810   0.70730   0.01545
D4   0.13230   0.79930   0.59260   0.03204