data_global
_chemical_name_mineral 'Wycheproofite'
loop_
_publ_author_name
'Kolitsch U'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 15 
_journal_year 2003
_journal_page_first 1029
_journal_page_last 1034
_publ_section_title
;
 The crystal structure of wycheproofite, NaAlZr(PO4)2(OH)2.H2O
;
_database_code_amcsd 0007022
_chemical_formula_sum 'Na.884 Al Zr P2 O10.897 H4'
_cell_length_a 5.263
_cell_length_b 9.251
_cell_length_c 9.480
_cell_angle_alpha 109.49
_cell_angle_beta 98.57
_cell_angle_gamma 90.09
_cell_volume 429.605
_exptl_crystal_density_diffrn      2.929
_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
_atom_site_U_iso_or_equiv
Na   0.26390   0.28120   0.46700   0.88400   0.03200
Al  -0.24750   0.07698  -0.49748   1.00000   0.00770
Zr   0.25452   0.25660   0.01905   1.00000   0.00557
P1   0.80580   0.14282   0.19870   1.00000   0.00620
P2  -0.30720   0.34173  -0.18984   1.00000   0.00590
O1   0.82910   0.17850   0.36910   1.00000   0.00930
O2   0.25590   0.02840  -0.11280   1.00000   0.01390
O3   0.06140   0.19490   0.16750   1.00000   0.01220
O4   0.59120   0.23560   0.14830   1.00000   0.01210
O5   0.26130   0.48550   0.15130   1.00000   0.01390
O6  -0.33500   0.26710  -0.36170   1.00000   0.00980
O7  -0.08340   0.27700  -0.11150   1.00000   0.01360
O8   0.44580   0.30970  -0.13440   1.00000   0.01200
O-h9   0.09700   0.10610  -0.40010   1.00000   0.00990
O-h10  -0.58990   0.02880  -0.61040   1.00000   0.01000
Ow11   0.43060   0.52640   0.54360   0.50700   0.05300
Ow12   0.10300   0.48530   0.62900   0.39000   0.06600
H12A   0.17000   0.40900   0.60700   1.00000   0.04000
H12B   0.95100   0.49500   0.52200   1.00000   0.04000
H9   0.13700   0.15700  -0.33400   1.00000   0.04000
H10  -0.62100   0.00700  -0.68800   1.00000   0.04000
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 0.03100 0.02740 0.05730 -0.00480 -0.01490 0.01310
Al 0.00770 0.00780 0.00790 0.00130 0.00290 0.00250
Zr 0.00490 0.00580 0.00610 0.00050 0.00093 0.00216
P1 0.00550 0.00640 0.00720 0.00050 0.00080 0.00300
P2 0.00590 0.00570 0.00640 0.00120 0.00130 0.00230
O1 0.01240 0.01050 0.00590 -0.00200 0.00250 0.00320
O2 0.02120 0.00540 0.01190 0.00000 0.00180 -0.00120
O3 0.00850 0.01660 0.01420 -0.00040 0.00330 0.00810
O4 0.00960 0.01000 0.01640 0.00240 -0.00070 0.00520
O5 0.01910 0.00640 0.01420 -0.00130 0.00350 0.00070
O6 0.01150 0.01010 0.00750 0.00230 0.00300 0.00190
O7 0.01150 0.01610 0.01370 0.00270 0.00000 0.00650
O8 0.00920 0.01590 0.01210 0.00080 0.00350 0.00560
O-h9 0.01030 0.00810 0.00900 0.00140 0.00170 0.00000
O-h10 0.00990 0.00990 0.01050 -0.00110 0.00190 0.00390