#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/41/9004145.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9004145
loop_
_publ_author_name
'Hawthorne, F. C.'
_publ_section_title
;
 The crystal structure of morinite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              93
_journal_page_last               102
_journal_volume                  17
_journal_year                    1979
_chemical_formula_sum            'Al2 Ca2 F4 H5 Na O11 P2'
_chemical_name_mineral           Morinite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.5
_cell_angle_gamma                90
_cell_length_a                   9.454
_cell_length_b                   10.692
_cell_length_c                   5.444
_cell_formula_units_Z            2
_cell_volume                     530.277
_database_code_amcsd             0005168
_exptl_crystal_density_diffrn    2.982
_cod_original_formula_sum        'Ca2 Al2 Na P2 O11 F4 H5'
_cod_database_code               9004145
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca 0.14521 0.58288 0.24000 ?
Al 0.25760 0.40620 0.77330 ?
Na 0.68850 0.25000 0.20830 ?
P1 0.04380 0.25000 0.37150 ?
P2 0.50870 0.25000 0.64150 ?
O1 0.96990 0.25000 0.08540 ?
O2 0.22870 0.25000 0.89620 ?
O3 0.67540 0.25000 0.76500 ?
O4 0.47480 0.25000 0.35350 ?
O5 0.92920 0.25000 0.52480 ?
O6 0.35540 0.04190 0.13040 ?
O7 0.44230 0.13400 0.73460 ?
O8 0.14330 0.13200 0.44160 ?
F1 0.09680 0.03280 0.86050 ?
F2 0.71500 0.05870 0.33920 ?
H1 0.16900 0.25000 0.98500 0.01267
H2 0.42600 0.99200 0.16200 0.01267
H3 0.38200 0.11200 0.21800 0.01267
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005168
