#------------------------------------------------------------------------------
#$Date: 2018-08-03 06:21:22 +0300 (Fri, 03 Aug 2018) $
#$Revision: 209378 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/97/1549763.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_1549763
loop_
_publ_author_name
'Arima, H.'
'Kida, Y.'
'Mikouchi, T.'
'Sugiyama, K.'
_publ_section_title
;
 The location of Mn (MnO: 2.0 wt%) in fluorapatit from Lavra da Golconda,
 near Governador Valadares, Minas Gerais, Brazil
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              119
_journal_page_last               125
_journal_volume                  113
_journal_year                    2018
_chemical_formula_sum            'Ca4.83 F Mn0.15 O12 P3 Sr0.02'
_chemical_name_common            fluorapatite
_chemical_name_mineral           fluorapatite
_space_group_IT_number           176
_space_group_name_H-M_alt        'P 63/m'
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.384(2)
_cell_length_b                   9.384(2)
_cell_length_c                   6.8842(6)
_cell_volume                     525.00(16)
_cod_data_source_file            flourapatite.cif
_cod_data_source_block           flourapatite
_cod_original_formula_sum        'Ca4.83 Mn0.15 Sr0.02 P3 O12 F1'
_cod_database_code               1549763
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-y, x-y, z'
'y, -x+y, -z'
'-x+y, -x, z'
'x-y, x, -z'
'-x, -y, z+1/2'
'x, y, -z+1/2'
'y, -x+y, z+1/2'
'-y, x-y, -z+1/2'
'x-y, x, z+1/2'
'-x+y, -x, -z+1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
Ca1 0.9280 0.666667 0.333333 0.00140(7) Uiso 0.01036(15) Ca
Ca1 0.0720 0.666667 0.333333 0.00140(7) Uiso 0.01036(15) Mn
Ca2 0.9950 -0.00723(5) 0.24138(5) 0.250000 Uiso 0.00897(15) Ca
Ca2 0.0050 -0.00723(5) 0.24138(5) 0.250000 Uiso 0.00897(15) Sr
P 1.0 0.36923(6) 0.39848(6) 0.250000 Uiso 0.00683(15) P
O1 1.0 0.48583(17) 0.3275(2) 0.250000 Uiso 0.0117(3) O
O2 1.0 0.46653(18) 0.58815(18) 0.250000 Uiso 0.0156(3) O
O3 1.0 0.25736(12) 0.34122(16) 0.07041(17) Uiso 0.0165(3) O
F 1.0 0.000000 0.000000 0.250000 Uiso 0.0209(5) F
