#------------------------------------------------------------------------------
#$Date: 2020-03-05 04:12:14 +0200 (Thu, 05 Mar 2020) $
#$Revision: 249063 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/74/1557470.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_1557470
loop_
_publ_author_name
'Biagioni, C.'
'Bonaccorsi, E.'
'Camara, F.'
'Cadoni, M.'
'Ciriotti, M.E.'
'Bersani, D.'
'Kolitsch, U.'
_publ_section_title
;
 Lusernaite-(Y), Y4Al(CO3)2(OH,F)11*6H2O, a new mineral species from
 Luserna Valley, Piedmont, Italy: Description and crystal structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1322
_journal_page_last               1329
_journal_paper_doi               10.2138/am.4366
_journal_volume                  98
_journal_year                    2013
_chemical_formula_sum
'C2 H22.35 Al1.06 Ca0.05 Dy0.16 Er0.15 F0.65 Gd0.07 O22.35 Pb0.02 Sm0.01 Y3.41 Yb0.09'
_chemical_name_common            Y4Al(CO3)2(OH,F)11*6H2O
_chemical_name_mineral           Lusernaite-Y
_space_group_IT_number           53
_space_group_name_Hall           '-P 2ac 2'
_space_group_name_H-M_alt        'P m n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.8412(3)
_cell_length_b                   11.0313(5)
_cell_length_c                   11.3870(4)
_cell_volume                     984.96(7)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            lusernaite-Y.cif
_cod_data_source_block           lusernaite-Y
_cod_original_formula_sum
'Y3.41 Dy0.16 Er0.15 Yb0.09 Gd0.07 Ca0.05 Pb0.02 Sm0.01 Al1.06 C2 O22.35 F0.65 H22.35'
_cod_database_code               1557470
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
3 -x+1/2,-y,z+1/2
4 x+1/2,y,-z+1/2
5 -x+1/2,y,-z+1/2
6 x+1/2,-y,z+1/2
7 x,-y,-z
8 -x,y,z
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
Y1 1.0 0.250000 0.4975(2) 0.750000 Uiso 0.0170(6) Y
Pb1a 1.0 0.250000 0.570(7) 0.750000 Uiso 0.0170(6) Pb
Pb1b 1.0 0.250000 0.409(5) 0.750000 Uiso 0.0170(6) Pb
Y2 1.0 0.000000 0.23040(10) 0.84870(10) Uiso 0.0203(6) Y
Al 1.0 0.000000 0.500000 0.000000 Uiso 0.018(2) Al
C 1.0 0.500000 0.6830(10) 0.9150(10) Uiso 0.021(3) C
O1 1.0 -0.1624(9) 0.3949(7) 0.9272(7) Uiso 0.023(2) O
O2 1.0 0.3570(10) 0.6424(8) 0.8746(7) Uiso 0.034(2) O
O3 1.0 0.500000 0.7590(10) 0.9988(9) Uiso 0.026(3) O
O4 1.0 -0.250000 0.2140(10) 0.750000 Uiso 0.027(3) O
O5 1.0 0.000000 0.4177(8) 0.1437(8) Uiso 0.020(2) O
O6 1.0 0.000000 0.3870(10) 0.7091(9) Uiso 0.021(2) O
Ow1 1.0 -0.188(2) 0.1350(10) 0.9854(9) Uiso 0.055(3) O
Ow2 1.0 0.000000 0.033(2) 0.770(2) Uiso 0.093(7) O
Ow3 1.0 -0.250000 -0.141(4) 0.750000 Uiso 0.101(15) O
H1 1.0 -0.201000 0.037000 0.989000 Uiso 0.05 H
H2 1.0 -0.314000 0.158000 0.014000 Uiso 0.05 H
