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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007619.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9007619
_chemical_name 'Monetite'
loop_
_publ_author_name
'Catti M'
'Ferraris G'
'Filhol A'
_journal_name_full "Acta Crystallographica, Section B"
_journal_volume 33
_journal_year 1977
_journal_page_first 1223
_journal_page_last 1229
_publ_section_title
;
 Hydrogen bonding in the crystalline state. CaHPO4 (monetite),
 P-1 or P1? A novel neutron diffraction study
 Locality: Synthetic
;
_chemical_formula_sum 'Ca4 P4 O16 H4'
_cell_length_a 6.910
_cell_length_b 6.627
_cell_length_c 6.998
_cell_angle_alpha 96.34
_cell_angle_beta 103.82
_cell_angle_gamma 88.33
_cell_volume 309.275
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_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
Ca1   0.29470   0.43530   0.27190   1.00000
Ca2   0.17540   0.83730   0.66640   1.00000
P1   0.20770   0.37900   0.72070   1.00000
P2   0.29620   0.94360   0.20820   1.00000
O1   0.32340   0.33220   0.93730   1.00000
O2   0.35140   0.49190   0.63240   1.00000
O3   0.13900   0.18060   0.59640   1.00000
O4   0.03940   0.52280   0.74590   1.00000
O5   0.33290   0.83630   0.01680   1.00000
O6   0.45920   0.10420   0.30070   1.00000
O7   0.09940   0.06730   0.16370   1.00000
O8   0.28800   0.79170   0.35370   1.00000
H1   0.00000   0.00000   0.00000   1.00000
H2   0.46050   0.25880   0.95060   1.00000
H3   0.52930   0.11600   0.46830   0.50000