data_global
_amcsd_formula_title 'NaCa1.5(NbO)2O2(AsO4)2'
loop_
_publ_author_name
'Amor R B'
'Zid M F'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 61 
_journal_year 2005
_journal_page_first i228
_journal_page_last i230
_publ_section_title
;
 NaCa1.5(NbO)2O2(AsO4)2
;
_database_code_amcsd 0010458
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Na Ca1.5 Nb2 As2 O12'
_cell_length_a 6.730
_cell_length_b 22.302
_cell_length_c 7.4309
_cell_angle_alpha 90
_cell_angle_beta 113.8270
_cell_angle_gamma 90
_cell_volume 1020.263
_exptl_crystal_density_diffrn      3.976
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Na   0.50000   0.44084   0.75000   1.00000   0.03470
Ca1   0.00000   0.48192   0.25000   0.87000   0.00806
Ca2  -0.50000   0.27733   0.25000   0.63000   0.02190
Nb   0.00565   0.35792   0.51029   1.00000   0.00618
As1   0.50000   0.41796   0.25000   1.00000   0.00927
As2   0.00000   0.22198   0.25000   1.00000   0.00575
O1  -0.09770   0.26328   0.38580   1.00000   0.01340
O2   0.00000   0.32411   0.75000   1.00000   0.00860
O3   0.07520   0.43450   0.58140   1.00000   0.01320
O4  -0.32210   0.36857   0.41470   1.00000   0.01220
O5   0.31180   0.32501   0.59450   1.00000   0.01790
O6  -0.63030   0.45972   0.35180   1.00000   0.02120
O7   0.00000   0.37148   0.25000   1.00000   0.00920
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na 0.02010 0.01830 0.06000 0.00000 0.01040 0.00000
Ca1 0.00900 0.00750 0.00910 0.00000 0.00510 0.00000
Ca2 0.01890 0.01200 0.03200 0.00000 0.00740 0.00000
Nb 0.00677 0.00712 0.00501 0.00071 0.00274 -0.00041
As1 0.00533 0.00707 0.01400 0.00000 0.00240 0.00000
As2 0.00513 0.00619 0.00617 0.00000 0.00254 0.00000
O1 0.01960 0.00800 0.01970 -0.00230 0.01520 -0.00440
O2 0.01240 0.00890 0.00450 0.00000 0.00360 0.00000
O3 0.01720 0.01180 0.01260 -0.00120 0.00810 -0.00190
O4 0.00660 0.01400 0.01480 0.00200 0.00330 0.00430
O5 0.01020 0.02540 0.01950 0.00930 0.00740 0.01300
O6 0.01190 0.01820 0.03250 0.00250 0.00810 -0.01220
O7 0.01310 0.00920 0.00680 0.00000 0.00560 0.00000