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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/18/9011837.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_9011837
loop_
_publ_author_name
'Pavlov, P. V.'
'Belov, N. V.'
_publ_section_title
;
 The structures of herderite, datolite and gadolinite determined by direct
 methods
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              300
_journal_page_last               314
_journal_volume                  4
_journal_year                    1959
_chemical_compound_source        'not given, but the crystal was natural'
_chemical_formula_sum            'Be Ca F O4 P'
_chemical_name_mineral           Herderite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.1
_cell_angle_gamma                90
_cell_length_a                   9.80
_cell_length_b                   7.68
_cell_length_c                   4.80
_cell_formula_units_Z            4
_cell_volume                     361.267
_database_code_amcsd             0015537
_exptl_crystal_density_diffrn    2.998
_cod_original_formula_sum        'Ca Be P O4 F'
_cod_database_code               9011837
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca 0.33000 0.11300 0.99500
Be 0.33300 0.40800 0.55800
P 0.07900 0.26900 0.47500
O1 0.04100 0.39700 0.25000
O2 0.45600 0.27800 0.65000
O3 0.19500 0.34300 0.67300
O4 0.14100 0.11100 0.33300
F 0.33000 0.41700 0.20900
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015537
