#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/10/2101033.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2101033
loop_
_publ_author_name
'Desgranges, L.'
'Grebille, D.'
'Calvarin, G.'
'Chevrier, G.'
'Floquet, N.'
'Niepce, J.-C.'
_publ_section_title
;
 Hydrogen thermal motion in calcium hydroxide: Ca(OH)₂
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              812
_journal_page_last               817
_journal_paper_doi               10.1107/S0108768193003556
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Ca H2 O2'
_chemical_formula_weight         74
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            1
_cell_length_a                   3.589(8)
_cell_length_b                   3.589(8)
_cell_length_c                   4.9111(14)
_cell_volume                     54.8
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     0.833(5)
_exptl_absorpt_coefficient_mu    0.1195
_exptl_crystal_density_diffrn    2.26
_exptl_crystal_F_000             9.028
_cod_data_source_file            du0369.cif
_cod_original_formula_sum        'H2 Ca O2'
_cod_database_code               2101033
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca .0 .0 .0
O(1) .3333 .6667 -.2341
O(2) .3333 .6667 .2341
H(1) .3333 .6667 -.4248
H(2) .3333 .6667 .4248
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
O(1) H(1) .936
O(2) H(2) .936
