data_global
_chemical_name_mineral 'Canaphite'
loop_
_publ_author_name
'Rouse R C'
'Peacor D R'
'Freed R L'
_journal_name_full 'American Mineralogist'
_journal_volume 73 
_journal_year 1988
_journal_page_first 168
_journal_page_last 171
_publ_section_title
;
 Pyrophosphate groups in the structure of canaphite, CaNa2P2O7.4(H2O): The
 first occurrence of a condensed phosphate as a mineral
;
_database_code_amcsd 0001137
_chemical_formula_sum 'Ca Na2 P2 O11 H4'
_cell_length_a 5.673
_cell_length_b 8.48
_cell_length_c 10.529
_cell_angle_alpha 90
_cell_angle_beta 106.13
_cell_angle_gamma 90
_cell_volume 486.579
_exptl_crystal_density_diffrn      2.239
_symmetry_space_group_name_H-M 'P 1 c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca   0.00000   0.01240   0.00000
Na1   0.22520   0.39820   0.96210
Na2   0.74170   0.36690   0.46650
P1   0.17910   0.24110   0.29240
P2   0.38910   0.07390   0.80960
O1   0.33080   0.90270   0.16260
O-H2   0.77690   0.85270   0.11650
O3   0.07360   0.22240   0.14620
O-H4   0.15010   0.58520   0.11560
O5   0.99560   0.20550   0.36880
O6   0.32090   0.39000   0.33060
O-H7   0.80440   0.58580   0.34600
O-H8   0.62570   0.38790   0.11300
O9   0.64340   0.87210   0.38190
O10   0.19330   0.85780   0.36360
O11   0.39690   0.11150   0.33920
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
Ca 0.01360 0.01630 0.00990 0.00010 0.00380 0.00000
Na1 0.02500 0.02310 0.02730 -0.00190 -0.00320 -0.00060
Na2 0.02590 0.02270 0.02570 0.00050 0.00620 0.00810
P1 0.01560 0.00980 0.01070 0.00120 0.00370 0.00120
P2 0.01310 0.00810 0.01010 -0.00270 0.00540 -0.00120
O1 0.01930 0.01630 0.01500 -0.00350 0.00690 -0.00390
O-H2 0.01660 0.02230 0.01770 -0.00270 0.00490 -0.00160
O3 0.02250 0.01610 0.01820 -0.00240 0.00480 -0.00240
O-H4 0.02040 0.02260 0.02440 0.00410 0.00040 0.00400
O5 0.01720 0.01320 0.02240 0.00210 0.00820 0.00060
O6 0.01720 0.01080 0.01740 -0.01040 -0.00580 -0.00790
O-H7 0.02320 0.01790 0.02980 -0.00190 0.00330 0.00540
O-H8 0.01950 0.04090 0.03500 0.00090 0.00000 -0.01340
O9 0.01070 0.01860 0.01470 0.00130 -0.00320 -0.00100
O10 0.01610 0.01640 0.01580 -0.00450 0.00970 -0.00340
O11 0.01950 0.00780 0.02670 0.00110 0.00760 -0.00100