#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:35:37 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179068 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/30/4303068.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_4303068
loop_
_publ_author_name
'J. Palmer West'
'Shiou-Jyh Hwu'
'Wendy L. Queen'
_publ_section_title
;
Synthesis, Structure, and Magnetic Properties of Na3LnMn3O3(AsO4)3 (Ln = La,
Sm, and Gd): A New 3d-4f Series Exhibiting One-Dimensional Manganese(III)
Oxide Chains Connected via LnO9 Units
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8439
_journal_page_last               8444
_journal_paper_doi               10.1021/ic901043g
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'As3 La Mn3 Na3 O15'
_chemical_formula_weight         837.46
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   11.1669(16)
_cell_length_b                   11.1669(16)
_cell_length_c                   6.0347(12)
_cell_measurement_reflns_used    438
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.20
_cell_measurement_theta_min      2.11
_cell_volume                     651.71(19)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1402
_diffrn_reflns_av_sigmaI/netI    0.0443
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            5541
_diffrn_reflns_theta_full        25.20
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    13.796
_exptl_absorpt_correction_T_max  0.7330
_exptl_absorpt_correction_T_min  0.3510
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB,RIGAKU/MSC,The Woodlands,TX,USA,1999.'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    4.268
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         4.434
_refine_diff_density_min         -2.441
_refine_diff_density_rms         0.509
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.214
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     48
_refine_ls_number_reflns         438
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.214
_refine_ls_R_factor_all          0.0827
_refine_ls_R_factor_gt           0.0767
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1311P)²+6.3451P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2021
_refine_ls_wR_factor_ref         0.2083
_reflns_number_gt                399
_reflns_number_total             438
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901043g_si_002_1.cif
_cod_data_source_block           Na3LaMn3O3(AsO4)3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4303068
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Na Na 0.2613(13) 0.1040(12) -0.2500 0.044(3) Uani 1 2 d S . .
La La 0.3333 0.6667 0.2500 0.0176(8) Uani 1 6 d S . .
Mn Mn 0.5000 1.0000 0.0000 0.0142(9) Uani 1 2 d S . .
As As 0.6034(2) 0.8171(2) -0.2500 0.0165(8) Uani 1 2 d S . .
O(1) O 0.3898(15) 0.9168(14) 0.2500 0.016(3) Uani 1 2 d S . .
O(2) O 0.5231(12) 0.8327(11) -0.0227(17) 0.024(2) Uani 1 1 d . . .
O(3) O 0.5757(15) 0.6534(13) -0.2500 0.016(3) Uani 1 2 d S . .
O(4) O 0.7687(17) 0.918(2) -0.2500 0.044(5) Uani 1 2 d S . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O(4) Na O(4) 108.6(9) 3_565 2_655 ?
O(4) Na O(3) 170.4(8) 3_565 2_655 ?
O(4) Na O(3) 61.8(5) 2_655 2_655 ?
O(4) Na O(2) 121.5(5) 3_565 7_665 ?
O(4) Na O(2) 113.5(5) 2_655 7_665 ?
O(3) Na O(2) 65.4(4) 2_655 7_665 ?
O(4) Na O(2) 121.5(5) 3_565 4_664 ?
O(4) Na O(2) 113.5(5) 2_655 4_664 ?
O(3) Na O(2) 65.4(4) 2_655 4_664 ?
O(2) Na O(2) 75.0(5) 7_665 4_664 ?
O(4) Na O(1) 73.4(6) 3_565 9_655 ?
O(4) Na O(1) 178.0(7) 2_655 9_655 ?
O(3) Na O(1) 116.2(6) 2_655 9_655 ?
O(2) Na O(1) 65.0(4) 7_665 9_655 ?
O(2) Na O(1) 65.0(4) 4_664 9_655 ?
O(4) Na As 138.5(7) 3_565 2_655 ?
O(4) Na As 29.8(4) 2_655 2_655 ?
O(3) Na As 31.9(3) 2_655 2_655 ?
O(2) Na As 90.2(3) 7_665 2_655 ?
O(2) Na As 90.2(3) 4_664 2_655 ?
O(1) Na As 148.2(5) 9_655 2_655 ?
O(4) Na As 98.7(3) 3_565 7_665 ?
O(4) Na As 107.5(2) 2_655 7_665 ?
O(3) Na As 85.0(2) 2_655 7_665 ?
O(2) Na As 30.9(2) 7_665 7_665 ?
O(2) Na As 105.0(4) 4_664 7_665 ?
O(1) Na As 71.9(2) 9_655 7_665 ?
As Na As 97.55(19) 2_655 7_665 ?
O(4) Na As 98.7(3) 3_565 7_664 ?
O(4) Na As 107.5(2) 2_655 7_664 ?
O(3) Na As 85.0(2) 2_655 7_664 ?
O(2) Na As 105.0(4) 7_665 7_664 ?
O(2) Na As 30.9(2) 4_664 7_664 ?
O(1) Na As 71.9(2) 9_655 7_664 ?
As Na As 97.55(19) 2_655 7_664 ?
As Na As 132.9(4) 7_665 7_664 ?
O(4) Na As 20.4(4) 3_565 3_565 ?
O(4) Na As 129.0(6) 2_655 3_565 ?
O(3) Na As 169.2(5) 2_655 3_565 ?
O(2) Na As 106.4(4) 7_665 3_565 ?
O(2) Na As 106.4(4) 4_664 3_565 ?
O(1) Na As 53.0(3) 9_655 3_565 ?
As Na As 158.9(4) 2_655 3_565 ?
As Na As 90.8(2) 7_665 3_565 ?
As Na As 90.8(2) 7_664 3_565 ?
O(4) Na Mn 152.0(3) 3_565 1_545 ?
O(4) Na Mn 86.6(4) 2_655 1_545 ?
O(3) Na Mn 33.8(2) 2_655 1_545 ?
O(2) Na Mn 31.8(2) 7_665 1_545 ?
O(2) Na Mn 69.2(3) 4_664 1_545 ?
O(1) Na Mn 91.5(4) 9_655 1_545 ?
As Na Mn 59.69(16) 2_655 1_545 ?
As Na Mn 53.62(13) 7_665 1_545 ?
As Na Mn 98.7(3) 7_664 1_545 ?
As Na Mn 138.2(3) 3_565 1_545 ?
O(4) Na Mn 152.0(3) 3_565 4_664 ?
O(4) Na Mn 86.6(4) 2_655 4_664 ?
O(3) Na Mn 33.8(2) 2_655 4_664 ?
O(2) Na Mn 69.2(3) 7_665 4_664 ?
O(2) Na Mn 31.8(2) 4_664 4_664 ?
O(1) Na Mn 91.5(4) 9_655 4_664 ?
As Na Mn 59.69(16) 2_655 4_664 ?
As Na Mn 98.7(3) 7_665 4_664 ?
As Na Mn 53.62(13) 7_664 4_664 ?
As Na Mn 138.2(3) 3_565 4_664 ?
Mn Na Mn 47.88(13) 1_545 4_664 ?
O(1) La O(1) 120.000(2) . 2_665 ?
O(1) La O(1) 120.000(3) . 3_565 ?
O(1) La O(1) 120.000(1) 2_665 3_565 ?
O(1) La O(2) 71.6(3) . 2_665 ?
O(1) La O(2) 63.1(3) 2_665 2_665 ?
O(1) La O(2) 140.2(2) 3_565 2_665 ?
O(1) La O(2) 71.6(3) . 11_666 ?
O(1) La O(2) 63.1(3) 2_665 11_666 ?
O(1) La O(2) 140.2(2) 3_565 11_666 ?
O(2) La O(2) 78.9(5) 2_665 11_666 ?
O(1) La O(2) 63.1(3) . 10_556 ?
O(1) La O(2) 140.2(2) 2_665 10_556 ?
O(1) La O(2) 71.6(3) 3_565 10_556 ?
O(2) La O(2) 134.58(17) 2_665 10_556 ?
O(2) La O(2) 83.9(4) 11_666 10_556 ?
O(1) La O(2) 63.1(3) . . ?
O(1) La O(2) 140.2(2) 2_665 . ?
O(1) La O(2) 71.6(3) 3_565 . ?
O(2) La O(2) 83.9(4) 2_665 . ?
O(2) La O(2) 134.58(17) 11_666 . ?
O(2) La O(2) 78.9(5) 10_556 . ?
O(1) La O(2) 140.2(2) . 3_565 ?
O(1) La O(2) 71.6(3) 2_665 3_565 ?
O(1) La O(2) 63.1(3) 3_565 3_565 ?
O(2) La O(2) 83.9(4) 2_665 3_565 ?
O(2) La O(2) 134.58(17) 11_666 3_565 ?
O(2) La O(2) 134.58(17) 10_556 3_565 ?
O(2) La O(2) 83.9(4) . 3_565 ?
O(1) La O(2) 140.2(2) . 12_566 ?
O(1) La O(2) 71.6(3) 2_665 12_566 ?
O(1) La O(2) 63.1(3) 3_565 12_566 ?
O(2) La O(2) 134.58(17) 2_665 12_566 ?
O(2) La O(2) 83.9(4) 11_666 12_566 ?
O(2) La O(2) 83.9(4) 10_556 12_566 ?
O(2) La O(2) 134.58(17) . 12_566 ?
O(2) La O(2) 78.9(5) 3_565 12_566 ?
O(1) La Mn 30.29(17) . 4_675 ?
O(1) La Mn 131.9(3) 2_665 4_675 ?
O(1) La Mn 101.2(3) 3_565 4_675 ?
O(2) La Mn 100.9(2) 2_665 4_675 ?
O(2) La Mn 69.5(2) 11_666 4_675 ?
O(2) La Mn 33.8(2) 10_556 4_675 ?
O(2) La Mn 73.0(2) . 4_675 ?
O(2) La Mn 155.7(2) 3_565 4_675 ?
O(2) La Mn 111.9(2) 12_566 4_675 ?
O(1) La Mn 101.2(3) . 2_665 ?
O(1) La Mn 30.29(17) 2_665 2_665 ?
O(1) La Mn 131.9(3) 3_565 2_665 ?
O(2) La Mn 33.8(2) 2_665 2_665 ?
O(2) La Mn 73.0(2) 11_666 2_665 ?
O(2) La Mn 155.7(2) 10_556 2_665 ?
O(2) La Mn 111.9(2) . 2_665 ?
O(2) La Mn 69.5(2) 3_565 2_665 ?
O(2) La Mn 100.9(2) 12_566 2_665 ?
Mn La Mn 126.146(3) 4_675 2_665 ?
O(1) La Mn 101.2(3) . 5_455 ?
O(1) La Mn 30.29(17) 2_665 5_455 ?
O(1) La Mn 131.9(3) 3_565 5_455 ?
O(2) La Mn 73.0(2) 2_665 5_455 ?
O(2) La Mn 33.8(2) 11_666 5_455 ?
O(2) La Mn 111.9(2) 10_556 5_455 ?
O(2) La Mn 155.7(2) . 5_455 ?
O(2) La Mn 100.9(2) 3_565 5_455 ?
O(2) La Mn 69.5(2) 12_566 5_455 ?
Mn La Mn 103.326(6) 4_675 5_455 ?
Mn La Mn 50.160(11) 2_665 5_455 ?
O(1) Mn O(1) 180.000(1) . 7_675 ?
O(1) Mn O(2) 92.8(5) . 7_675 ?
O(1) Mn O(2) 87.2(5) 7_675 7_675 ?
O(1) Mn O(2) 87.2(5) . . ?
O(1) Mn O(2) 92.8(5) 7_675 . ?
O(2) Mn O(2) 180.000(2) 7_675 . ?
O(1) Mn O(3) 79.9(4) . 8_565 ?
O(1) Mn O(3) 100.1(4) 7_675 8_565 ?
O(2) Mn O(3) 91.4(5) 7_675 8_565 ?
O(2) Mn O(3) 88.6(5) . 8_565 ?
O(1) Mn O(3) 100.1(4) . 2_665 ?
O(1) Mn O(3) 79.9(4) 7_675 2_665 ?
O(2) Mn O(3) 88.6(5) 7_675 2_665 ?
O(2) Mn O(3) 91.4(5) . 2_665 ?
O(3) Mn O(3) 180.000(1) 8_565 2_665 ?
O(1) Mn Mn 36.4(3) . 4_675 ?
O(1) Mn Mn 143.6(3) 7_675 4_675 ?
O(2) Mn Mn 86.1(3) 7_675 4_675 ?
O(2) Mn Mn 93.9(3) . 4_675 ?
O(3) Mn Mn 44.5(2) 8_565 4_675 ?
O(3) Mn Mn 135.5(2) 2_665 4_675 ?
O(1) Mn Mn 143.6(3) . 4_674 ?
O(1) Mn Mn 36.4(3) 7_675 4_674 ?
O(2) Mn Mn 93.9(3) 7_675 4_674 ?
O(2) Mn Mn 86.1(3) . 4_674 ?
O(3) Mn Mn 135.5(2) 8_565 4_674 ?
O(3) Mn Mn 44.5(2) 2_665 4_674 ?
Mn Mn Mn 180.0 4_675 4_674 ?
O(1) Mn La 136.9(4) . 7_675 ?
O(1) Mn La 43.1(4) 7_675 7_675 ?
O(2) Mn La 45.7(3) 7_675 7_675 ?
O(2) Mn La 134.3(3) . 7_675 ?
O(3) Mn La 88.9(3) 8_565 7_675 ?
O(3) Mn La 91.1(3) 2_665 7_675 ?
Mn Mn La 115.080(5) 4_675 7_675 ?
Mn Mn La 64.920(5) 4_674 7_675 ?
O(1) Mn La 43.1(4) . . ?
O(1) Mn La 136.9(4) 7_675 . ?
O(2) Mn La 134.3(3) 7_675 . ?
O(2) Mn La 45.7(3) . . ?
O(3) Mn La 91.1(3) 8_565 . ?
O(3) Mn La 88.9(3) 2_665 . ?
Mn Mn La 64.920(5) 4_675 . ?
Mn Mn La 115.080(5) 4_674 . ?
La Mn La 180.0 7_675 . ?
O(1) Mn Na 94.9(4) . 1_565 ?
O(1) Mn Na 85.1(4) 7_675 1_565 ?
O(2) Mn Na 45.1(4) 7_675 1_565 ?
O(2) Mn Na 134.9(4) . 1_565 ?
O(3) Mn Na 136.2(4) 8_565 1_565 ?
O(3) Mn Na 43.8(4) 2_665 1_565 ?
Mn Mn Na 113.94(7) 4_675 1_565 ?
Mn Mn Na 66.06(7) 4_674 1_565 ?
La Mn Na 65.36(19) 7_675 1_565 ?
La Mn Na 114.64(19) . 1_565 ?
O(1) Mn Na 85.1(4) . 7_665 ?
O(1) Mn Na 94.9(4) 7_675 7_665 ?
O(2) Mn Na 134.9(4) 7_675 7_665 ?
O(2) Mn Na 45.1(4) . 7_665 ?
O(3) Mn Na 43.8(4) 8_565 7_665 ?
O(3) Mn Na 136.2(4) 2_665 7_665 ?
Mn Mn Na 66.06(7) 4_675 7_665 ?
Mn Mn Na 113.94(7) 4_674 7_665 ?
La Mn Na 114.64(19) 7_675 7_665 ?
La Mn Na 65.36(19) . 7_665 ?
Na Mn Na 180.000(1) 1_565 7_665 ?
O(4) As O(2) 114.0(5) . 10 ?
O(4) As O(2) 114.0(5) . . ?
O(2) As O(2) 108.0(7) 10 . ?
O(4) As O(3) 106.5(9) . . ?
O(2) As O(3) 106.9(4) 10 . ?
O(2) As O(3) 106.9(4) . . ?
O(4) As Na 51.1(7) . 3_665 ?
O(2) As Na 125.8(4) 10 3_665 ?
O(2) As Na 125.8(4) . 3_665 ?
O(3) As Na 55.4(5) . 3_665 ?
O(4) As Na 66.5(2) . 7_665 ?
O(2) As Na 155.5(4) 10 7_665 ?
O(2) As Na 55.0(4) . 7_665 ?
O(3) As Na 95.8(3) . 7_665 ?
Na As Na 74.9(2) 3_665 7_665 ?
O(4) As Na 66.5(2) . 7_664 ?
O(2) As Na 55.0(4) 10 7_664 ?
O(2) As Na 155.5(4) . 7_664 ?
O(3) As Na 95.8(3) . 7_664 ?
Na As Na 74.9(2) 3_665 7_664 ?
Na As Na 132.9(4) 7_665 7_664 ?
O(4) As Na 30.0(7) . 2_665 ?
O(2) As Na 98.1(4) 10 2_665 ?
O(2) As Na 98.1(4) . 2_665 ?
O(3) As Na 136.5(6) . 2_665 ?
Na As Na 81.1(4) 3_665 2_665 ?
Na As Na 70.2(2) 7_665 2_665 ?
Na As Na 70.2(2) 7_664 2_665 ?
Mn O(1) Mn 107.3(7) 4_675 . ?
Mn O(1) La 106.6(5) 4_675 . ?
Mn O(1) La 106.6(5) . . ?
Mn O(1) Na 120.2(4) 4_675 8_565 ?
Mn O(1) Na 120.2(4) . 8_565 ?
La O(1) Na 93.1(5) . 8_565 ?
As O(2) Mn 118.1(6) . . ?
As O(2) La 136.6(6) . . ?
Mn O(2) La 100.5(4) . . ?
As O(2) Na 94.1(5) . 7_665 ?
Mn O(2) Na 103.1(5) . 7_665 ?
La O(2) Na 95.9(4) . 7_665 ?
As O(3) Mn 131.1(4) . 6_654 ?
As O(3) Mn 131.1(4) . 3_565 ?
Mn O(3) Mn 91.0(5) 6_654 3_565 ?
As O(3) Na 92.7(6) . 3_665 ?
Mn O(3) Na 102.4(5) 6_654 3_665 ?
Mn O(3) Na 102.4(5) 3_565 3_665 ?
As O(4) Na 129.6(10) . 2_665 ?
As O(4) Na 99.1(9) . 3_665 ?
Na O(4) Na 131.4(9) 2_665 3_665 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Na O(4) 2.31(2) 3_565 ?
Na O(4) 2.52(2) 2_655 ?
Na O(3) 2.637(18) 2_655 ?
Na O(2) 2.703(14) 7_665 ?
Na O(2) 2.703(14) 4_664 ?
Na O(1) 2.869(18) 9_655 ?
Na As 3.200(11) 2_655 ?
Na As 3.291(5) 7_665 ?
Na As 3.291(5) 7_664 ?
Na As 3.563(10) 3_565 ?
Na Mn 3.718(10) 1_545 ?
Na Mn 3.718(10) 4_664 ?
La O(1) 2.538(14) . ?
La O(1) 2.538(14) 2_665 ?
La O(1) 2.538(14) 3_565 ?
La O(2) 2.590(11) 2_665 ?
La O(2) 2.590(11) 11_666 ?
La O(2) 2.590(11) 10_556 ?
La O(2) 2.590(11) . ?
La O(2) 2.590(11) 3_565 ?
La O(2) 2.590(11) 12_566 ?
La Mn 3.5592(4) 4_675 ?
La Mn 3.5592(4) 2_665 ?
La Mn 3.5592(4) 5_455 ?
Mn O(1) 1.873(8) . ?
Mn O(1) 1.873(8) 7_675 ?
Mn O(2) 2.014(10) 7_675 ?
Mn O(2) 2.014(10) . ?
Mn O(3) 2.116(9) 8_565 ?
Mn O(3) 2.116(9) 2_665 ?
Mn Mn 3.0173(6) 4_675 ?
Mn Mn 3.0173(6) 4_674 ?
Mn La 3.5592(4) 7_675 ?
Mn Na 3.718(10) 1_565 ?
Mn Na 3.718(10) 7_665 ?
As O(4) 1.612(16) . ?
As O(2) 1.695(10) 10 ?
As O(2) 1.695(10) . ?
As O(3) 1.694(12) . ?
As Na 3.200(11) 3_665 ?
As Na 3.291(5) 7_665 ?
As Na 3.291(5) 7_664 ?
As Na 3.563(10) 2_665 ?
O(1) Mn 1.873(8) 4_675 ?
O(1) Na 2.869(18) 8_565 ?
O(2) Na 2.703(14) 7_665 ?
O(3) Mn 2.116(9) 6_654 ?
O(3) Mn 2.116(9) 3_565 ?
O(3) Na 2.637(18) 3_665 ?
O(4) Na 2.31(2) 2_665 ?
O(4) Na 2.52(2) 3_665 ?
